Geometry & MOs

Info

ID:	56322
PubChem CID:	17425097
Reduced:	OSN7H17C18 (1)
Stoich.:	ABC7D17E18 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	121.47
Dipole, Da:	8.73
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=N3)N

DOS

IR

Vibrations