Geometry & MOs

Info

ID:	313183
PubChem CID:	126612411
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	479.193295
ΔH_f, kcal/mol:	-143.45
Dipole, Da:	5.29
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)C

DOS

IR

Vibrations