Geometry & MOs

Info

ID:

190525

PubChem CID:

78016024

Reduced:

ON9C25H25 (1)

Stoich.:

AB9C25D25 (1)

Weight, g/mol:

718.270213

ΔHf, kcal/mol:

151.09

Dipole, Da:

5.26

IP(EA), eV:

 -9.19(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[4-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolidin-3-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=NC=C(C=C2)N3CC(C3)(CC#N)N4C=C(C=N4)C5=C6C=CNC6=NC=N5

DOS

IR

Vibrations