Geometry & MOs

Info

ID:	395357
PubChem CID:	135025264
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-70.15
Dipole, Da:	7.98
IP(EA), eV:	-8.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(6,7-dimethoxy-2-phenyl-3,4-dihydroisoquinolin-1-ylidene)-4-oxobutanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C(\CC#N)/C(=O)OC)/N2CCCC2

DOS

IR

Vibrations