Geometry & MOs

Info

ID:	241832
PubChem CID:	96024364
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-68.89
Dipole, Da:	4.38
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations