Geometry & MOs

Info

ID:	331232
PubChem CID:	127248639
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-59.14
Dipole, Da:	8.14
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-2-[1-[2-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(N=CC=C1)C2CCN(C2)C(=O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations