Geometry & MOs

Info

ID:	195793
PubChem CID:	78732385
Reduced:	FNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-147.98
Dipole, Da:	3.23
IP(EA), eV:	-8.67(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CC2=CC(=CC=C2)F

DOS

IR

Vibrations