Geometry & MOs

Info

ID:	128782
PubChem CID:	51057660
Reduced:	BrNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	451.07831
ΔH_f, kcal/mol:	-57.75
Dipole, Da:	2.79
IP(EA), eV:	-8.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-N-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations