Geometry & MOs

Info

ID:	313097
PubChem CID:	126611870
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	445.166938
ΔH_f, kcal/mol:	-2.01
Dipole, Da:	2.36
IP(EA), eV:	-8.28(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C/C=C)/O/C(=C\NC)/CN

DOS

IR

Vibrations