Geometry & MOs

Info

ID:	242062
PubChem CID:	96025296
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	283.173628
ΔH_f, kcal/mol:	-19.14
Dipole, Da:	0.87
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2-fluoro-5-methylphenyl)methyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations