Geometry & MOs

Info

ID:	268131
PubChem CID:	103597995
Reduced:	ClN3O4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	328.122321
ΔH_f, kcal/mol:	-43.48
Dipole, Da:	6.09
IP(EA), eV:	-9.19(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations