Geometry & MOs

Info

ID:	61772
PubChem CID:	26712737
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	474.11542
ΔH_f, kcal/mol:	-97.64
Dipole, Da:	5.25
IP(EA), eV:	-9.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3-ethoxy-4-propoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations