Geometry & MOs

Info

ID:	372184
PubChem CID:	131294209
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-6.56
Dipole, Da:	7.19
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C=C2O1)C#N)N)C

DOS

IR

Vibrations