Geometry & MOs

Info

ID:	195780
PubChem CID:	78732372
Reduced:	FNO3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	400.166604
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	3.02
IP(EA), eV:	-8.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations