Geometry & MOs

Info

ID:	21196
PubChem CID:	587603
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-93.85
Dipole, Da:	4.8
IP(EA), eV:	-9.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-1,3-dimethyl-5-[(2-oxonaphthalen-1-ylidene)methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)C=C2C(=O)C=CC3=CC=CC=C32)O

DOS

IR

Vibrations