Geometry & MOs

Info

ID:	241933
PubChem CID:	96024688
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	290.098604
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	6.58
IP(EA), eV:	-8.61(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-3-fluoropyridin-4-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CNC(=CC3=O)C

DOS

IR

Vibrations