Geometry & MOs

Info

ID:	242135
PubChem CID:	96026483
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-55.67
Dipole, Da:	3.01
IP(EA), eV:	-8.61(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-7-methoxy-1-[(1S)-1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)[C@@H]2C3=CC(=C(C=C3CCN2)F)OC

DOS

IR

Vibrations