Geometry & MOs

Info

ID:	183635
PubChem CID:	77047152
Reduced:	BrNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-129.02
Dipole, Da:	6.66
IP(EA), eV:	-9.53(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-oxo-2H-pyrazine-2-carbonyl)azepane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)C=CC2=CC=C(O2)Br)C(=O)O

DOS

IR

Vibrations