Geometry & MOs

Info

ID:	241926
PubChem CID:	96024653
Reduced:	NC21H25 (1)
Stoich.:	AB21C25 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	10.86
Dipole, Da:	2.98
IP(EA), eV:	-8.74(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-fluoro-4-methylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations