Geometry & MOs

Info

ID:	242065
PubChem CID:	96025333
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	33.22
Dipole, Da:	3.41
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3-fluorophenyl)methyl]-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)CC3=CN=CC=C3

DOS

IR

Vibrations