Geometry & MOs

Info

ID:	241912
PubChem CID:	96024605
Reduced:	FN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	4.39
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations