Geometry & MOs

Info

ID:	178527
PubChem CID:	76342441
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	480.04515
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	3.0
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-methylphenyl)-3-[3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoylamino]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3

DOS

IR

Vibrations