Geometry & MOs

Info

ID:	241663
PubChem CID:	96023951
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-42.52
Dipole, Da:	6.48
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-7,8-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(N=CC=C3)C(=O)O)C=C1)C

DOS

IR

Vibrations