Geometry & MOs

Info

ID:	265113
PubChem CID:	103510649
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-102.36
Dipole, Da:	3.17
IP(EA), eV:	-9.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylimidazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)N2CCC[C@@H](C2)C(=O)O

DOS

IR

Vibrations