Geometry & MOs

Info

ID:	313098
PubChem CID:	126611896
Reduced:	ClON5H24C25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	458.187339
ΔH_f, kcal/mol:	54.88
Dipole, Da:	5.04
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-(2-chlorophenyl)-4-methylcyclohexyl]-3-(2-methylpyridin-4-yl)-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=C2C=C(C=C3)C(=O)N[C@H]4CN(C[C@@H]4C5=CC=CC=C5Cl)C

DOS

IR

Vibrations