Geometry & MOs

Info

ID:	30103
PubChem CID:	839974
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-104.97
Dipole, Da:	1.49
IP(EA), eV:	-8.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)NC2CCCCC2

DOS

IR

Vibrations