Geometry & MOs

Info

ID:	241879
PubChem CID:	96024485
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	27.44
Dipole, Da:	5.37
IP(EA), eV:	-9.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations