Geometry & MOs

Info

ID:	184631
PubChem CID:	77186814
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-79.04
Dipole, Da:	3.45
IP(EA), eV:	-8.2(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=NNC2=CC(=O)C(C=C21)C(=O)N(C)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations