Geometry & MOs

Info

ID:	161685
PubChem CID:	57392326
Reduced:	ClN2O5H13C17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	387.04701
ΔH_f, kcal/mol:	-51.84
Dipole, Da:	4.18
IP(EA), eV:	-9.46(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)NC(=O)CO[N+](=O)[O-])Cl

DOS

IR

Vibrations