Geometry & MOs

Info

ID:	241674
PubChem CID:	96023972
Reduced:	FNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	-59.57
Dipole, Da:	3.26
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-[(1S)-1-phenylpropyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2COC3=CC=C(C=C3)F)C=C1)C

DOS

IR

Vibrations