Geometry & MOs

Info

ID:	242134
PubChem CID:	96026462
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	2.54
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations