Geometry & MOs

Info

ID:	165986
PubChem CID:	74621736
Reduced:	ClN2O4C24H29 (1)
Stoich.:	AB2C4D24E29 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	3.94
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-7-yl)-2-(2,5-dimethyl-1H-indol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C=CC2=CC(=C(C(=C2)Cl)OC(C)C)OC

DOS

IR

Vibrations