Geometry & MOs

Info

ID:	241984
PubChem CID:	96024948
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	29.79
Dipole, Da:	3.72
IP(EA), eV:	-9.05(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CC#N)C=C1)C

DOS

IR

Vibrations