Geometry & MOs

Info

ID:	241665
PubChem CID:	96023953
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	2.78
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C(C=CC=N3)C(=O)O)C=C1)C

DOS

IR

Vibrations