Geometry & MOs

Info

ID:	143838
PubChem CID:	53267524
Reduced:	BrClN2O3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	423.02368
ΔH_f, kcal/mol:	-83.73
Dipole, Da:	6.17
IP(EA), eV:	-9.04(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-bromo-2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1=C(C=C(C=C1)Br)Cl)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations