Geometry & MOs

Info

ID:	169694
PubChem CID:	75138221
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-93.72
Dipole, Da:	6.09
IP(EA), eV:	-9.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations