Geometry & MOs

Info

ID:	241815
PubChem CID:	96024334
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	28.29
Dipole, Da:	2.68
IP(EA), eV:	-8.79(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations