Geometry & MOs

Info

ID:

430361

PubChem CID:

135170425

Reduced:

O2N6C47H60 (1)

Stoich.:

A2B6C47D60 (1)

Weight, g/mol:

530.325691

ΔHf, kcal/mol:

-5.66

Dipole, Da:

6.92

IP(EA), eV:

 -7.73(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[3-formyl-10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-9-yl]methylamino]propyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CCC1=C(/C(=C(\C2=CC3=C(C4=CC=CC=C4C(=C3C=C2)CNCCCNC(=O)C(=C)C)CNCCCNC(=O)C(=C)C)/C5=C(C(=C(N5)C)CC)C)/N=C1C)C

DOS

IR

Vibrations