Geometry & MOs

Info

ID:	235305
PubChem CID:	92309342
Reduced:	ClON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	319.14514
ΔH_f, kcal/mol:	19.86
Dipole, Da:	2.1
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)NC(=O)CN3C4=C(C=N3)C(=CC=C4)Cl

DOS

IR

Vibrations