Geometry & MOs

Info

ID:	175325
PubChem CID:	75883272
Reduced:	F2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	362.082205
ΔH_f, kcal/mol:	-156.13
Dipole, Da:	3.46
IP(EA), eV:	-8.68(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations