Geometry & MOs

Info

ID:	235306
PubChem CID:	92309343
Reduced:	ClON3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	319.14514
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	1.55
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroindazol-1-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C3=C(C=N2)C(=CC=C3)Cl

DOS

IR

Vibrations