Geometry & MOs

Info

ID:	241657
PubChem CID:	96023943
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	3.96
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C=CN=C3)C(=O)O

DOS

IR

Vibrations