Geometry & MOs

Info

ID:	79986
PubChem CID:	49832000
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-204.24
Dipole, Da:	6.2
IP(EA), eV:	-9.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptyl-2-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CO)[C@H](C(=O)NCCC(=O)NCC/C=C/C(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations