Geometry & MOs

Info

ID:	157750
PubChem CID:	56436936
Reduced:	N4O6C19H20 (1)
Stoich.:	A4B6C19D20 (1)
Weight, g/mol:	443.172417
ΔH_f, kcal/mol:	-82.45
Dipole, Da:	3.51
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)CNC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations