Geometry & MOs

Info

ID:	184634
PubChem CID:	77186817
Reduced:	O3N4C27H34 (1)
Stoich.:	A3B4C27D34 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	4.39
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethylphenyl)methyl]-N-methyl-6-oxo-N-phenyl-1,2,3,3a,4,5,7,7a-octahydroindazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2C3CC(C(=O)CC3NN2)C(=O)N(C)C4=CC=CC(=C4)N5CCOCC5

DOS

IR

Vibrations