Geometry & MOs

Info

ID:	337465
PubChem CID:	127257150
Reduced:	N2O2F3H9C15 (1)
Stoich.:	A2B2C3D9E15 (1)
Weight, g/mol:	341.00112
ΔH_f, kcal/mol:	-150.2
Dipole, Da:	6.65
IP(EA), eV:	-8.51(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-bromo-6-oxocyclohexa-1,3-dien-1-yl)acetic acid;1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=C/C(=C/2\NC(=CC(=O)N2)C(F)(F)F)/C=C3C1=CC(=O)C=C3

DOS

IR

Vibrations