Geometry & MOs

Info

ID:	268283
PubChem CID:	103598727
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	330.117984
ΔH_f, kcal/mol:	7.69
Dipole, Da:	7.47
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[3-(4-fluorophenyl)but-2-enoylamino]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C=CC(=O)NCC2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations