Geometry & MOs

Info

ID:	241824
PubChem CID:	96024347
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	271.137242
ΔH_f, kcal/mol:	-68.38
Dipole, Da:	3.53
IP(EA), eV:	-8.71(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations