Geometry & MOs

Info

ID:	241875
PubChem CID:	96024468
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	0.47
Dipole, Da:	2.12
IP(EA), eV:	-8.83(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-chloropyridin-2-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations