Geometry & MOs

Info

ID:

14042

PubChem CID:

402066

Reduced:

ClO2N7H36C41 (1)

Stoich.:

AB2C7D36E41 (1)

Weight, g/mol:

693.261901

ΔHf, kcal/mol:

97.96

Dipole, Da:

8.45

IP(EA), eV:

 -8.82(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations