Geometry & MOs

Info

ID:	175034
PubChem CID:	75848255
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	337.108086
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	3.76
IP(EA), eV:	-8.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)OC)OCC

DOS

IR

Vibrations