Geometry & MOs

Info

ID:	183643
PubChem CID:	77047160
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-105.43
Dipole, Da:	9.3
IP(EA), eV:	-9.42(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-oxo-3H-pyridine-3-carbonyl)azepane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=CC(=O)N2CCCCCC2C(=O)O

DOS

IR

Vibrations