Geometry & MOs

Info

ID:	407139
PubChem CID:	135079380
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	449.09904
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	5.02
IP(EA), eV:	-10.97(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\[N+](=O)[O-])/C1CCCCC1

DOS

IR

Vibrations