Geometry & MOs

Info

ID:	241813
PubChem CID:	96024332
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	32.12
Dipole, Da:	2.75
IP(EA), eV:	-9.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(6-chloropyridin-2-yl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=NC(=CC=C3)Cl)C=C1)C

DOS

IR

Vibrations