Geometry & MOs

Info

ID:	54619
PubChem CID:	17388996
Reduced:	ON2S2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	15.54
Dipole, Da:	7.38
IP(EA), eV:	-8.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-nitrosoacetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CSC1=C(C2=C(CCCC2)C(=N1)C3=CC=CS3)C#N

DOS

IR

Vibrations