Geometry & MOs

Info

ID:	313185
PubChem CID:	126612420
Reduced:	ClO2N5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	492.213696
ΔH_f, kcal/mol:	-2.48
Dipole, Da:	7.48
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyridin-4-yl)-N-[(1S,2R)-4-methyl-2-[2-(trifluoromethyl)phenyl]cyclohexyl]-1H-indazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C(=N)C2=C(N=CC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)N

DOS

IR

Vibrations