Geometry & MOs

Info

ID:

14041

PubChem CID:

402065

Reduced:

O2N7H39C43 (1)

Stoich.:

A2B7C39D43 (1)

Weight, g/mol:

685.316524

ΔHf, kcal/mol:

117.32

Dipole, Da:

5.66

IP(EA), eV:

 -8.71(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=CC=CC=C8

DOS

IR

Vibrations