Geometry & MOs

Info

ID:	241609
PubChem CID:	96023826
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	1.72
IP(EA), eV:	-8.6(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C[C@H]1C2=C(CCN1)C=C(C(=C2)C)C

DOS

IR

Vibrations