Geometry & MOs

Info

ID:	285897
PubChem CID:	104136702
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	8.1
IP(EA), eV:	-8.54(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)O)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations