Geometry & MOs

Info

ID:	167666
PubChem CID:	74855141
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	313.074868
ΔH_f, kcal/mol:	-155.12
Dipole, Da:	7.28
IP(EA), eV:	-8.95(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C=C(C)C)N

DOS

IR

Vibrations