Geometry & MOs

Info

ID:	195766
PubChem CID:	78732358
Reduced:	FNO4H20C23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	3.77
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations