Geometry & MOs

Info

ID:	241802
PubChem CID:	96024314
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	28.73
Dipole, Da:	3.67
IP(EA), eV:	-8.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(3-methylpyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C=CN=C3)Cl

DOS

IR

Vibrations