Geometry & MOs

Info

ID:	206798
PubChem CID:	80304075
Reduced:	BrNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-75.09
Dipole, Da:	5.59
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-ethyl-4-hydroxybutyl)-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)COC2=C(C=CC=C2Br)OC

DOS

IR

Vibrations