Geometry & MOs

Info

ID:	241653
PubChem CID:	96023938
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-144.93
Dipole, Da:	5.57
IP(EA), eV:	-8.89(0.34)
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-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations