Geometry & MOs

Info

ID:	241801
PubChem CID:	96024312
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	30.39
Dipole, Da:	0.82
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations