Geometry & MOs

Info

ID:	241901
PubChem CID:	96024539
Reduced:	SN2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	34.76
Dipole, Da:	0.49
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(5-methylpyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C(N=CS3)C)C=C1)C

DOS

IR

Vibrations