Geometry & MOs

Info

ID:

430535

PubChem CID:

135170601

Reduced:

NO4C12H19 (1)

Stoich.:

AB4C12D19 (1)

Weight, g/mol:

931.527465

ΔHf, kcal/mol:

-183.57

Dipole, Da:

5.63

IP(EA), eV:

 -9.72(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-methyl-N-[3-[[10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]-3-[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]anthracen-9-yl]methylamino]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C1OC(=O)OC(C)(C)C)C

DOS

IR

Vibrations