Geometry & MOs

Info

ID:	181696
PubChem CID:	76778680
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	553.151682
ΔH_f, kcal/mol:	-147.49
Dipole, Da:	3.27
IP(EA), eV:	-8.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[1-(chloromethyl)-5-hydroxy-9-methyl-1,2-dihydrobenzo[e]indole-3-carbonyl]triazol-1-yl]phenyl]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)NC(=C2)C=CC(=O)OC

DOS

IR

Vibrations