Geometry & MOs

Info

ID:	184629
PubChem CID:	77186221
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-12.98
Dipole, Da:	5.67
IP(EA), eV:	-9.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=CC=CC=C2C1C(C)(C)N

DOS

IR

Vibrations