Geometry & MOs

Info

ID:	273534
PubChem CID:	103771320
Reduced:	NBr2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	1.82
IP(EA), eV:	-9.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethoxyphenyl)-N-(2-hydroxy-4-methylpentyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)COC1=C(C=C(C=C1)Br)Br)O

DOS

IR

Vibrations