Geometry & MOs

Info

ID:	337467
PubChem CID:	127257152
Reduced:	BrNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	304.084792
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	6.28
IP(EA), eV:	-9.46(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-6-(furan-3-yl)-2-(6-oxonaphthalen-2-ylidene)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=O)C1Br)CC(=O)O)N

DOS

IR

Vibrations