Geometry & MOs

Info

ID:	175492
PubChem CID:	75910588
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	390.137971
ΔH_f, kcal/mol:	-27.37
Dipole, Da:	1.47
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetamidophenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(CC2=CN=CC=C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations