Geometry & MOs

Info

ID:	242059
PubChem CID:	96025274
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	5.19
Dipole, Da:	1.44
IP(EA), eV:	-8.59(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(5-fluoro-2-methoxyphenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C[C@@H]2C3=C(CCN2)C=C(C(=C3)C)C

DOS

IR

Vibrations