Geometry & MOs

Info

ID:	242055
PubChem CID:	96025265
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	299.132157
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	5.29
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CC(=CC(=C3)F)C(=O)O)C=C1)C

DOS

IR

Vibrations