Geometry & MOs

Info

ID:	241611
PubChem CID:	96023828
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	32.64
Dipole, Da:	2.27
IP(EA), eV:	-8.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CC3=CN=CC=C3)C=C1)C

DOS

IR

Vibrations