Geometry & MOs

Info

ID:	407161
PubChem CID:	135079465
Reduced:	FNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	469.04442
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	2.27
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C(C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations