Geometry & MOs

Info

ID:	241612
PubChem CID:	96023830
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	29.25
Dipole, Da:	1.15
IP(EA), eV:	-8.82(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations