Geometry & MOs

Info

ID:

430360

PubChem CID:

135170424

Reduced:

NO2C14H16 (2)

Stoich.:

AB2C14D16 (2)

Weight, g/mol:

740.477775

ΔHf, kcal/mol:

-116.75

Dipole, Da:

4.08

IP(EA), eV:

 -8.59(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[3-[(Z)-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-9-yl]methylamino]propyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCN(CC1=C2C=CC=CC2=C(C3=CC=CC=C31)C=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations