Geometry & MOs

Info

ID:	241983
PubChem CID:	96024942
Reduced:	NC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	71.52
Dipole, Da:	6.12
IP(EA), eV:	-9.11(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)/C(=C/C3=CC=CC=C3)/C#N

DOS

IR

Vibrations