Geometry & MOs

Info

ID:	242063
PubChem CID:	96025312
Reduced:	FNC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	299.132157
ΔH_f, kcal/mol:	-35.54
Dipole, Da:	3.28
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C[C@@H]2C3=C(CCN2)C=CC(=C3C)C

DOS

IR

Vibrations