Geometry & MOs

Info

ID:	242053
PubChem CID:	96025258
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-29.02
Dipole, Da:	1.61
IP(EA), eV:	-8.4(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CC3=CC(=C(C=C3)OC)C

DOS

IR

Vibrations