Geometry & MOs

Info

ID:	241902
PubChem CID:	96024548
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	33.12
Dipole, Da:	4.21
IP(EA), eV:	-8.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(5-methylpyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CN=CC(=C3)C)C=C1)C

DOS

IR

Vibrations