Geometry & MOs

Info

ID:	183284
PubChem CID:	77001246
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	294.081599
ΔH_f, kcal/mol:	-92.49
Dipole, Da:	2.52
IP(EA), eV:	-9.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(difluoromethoxy)phenyl]-5-propan-2-ylidene-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCC(CC)C1=NC(=O)C(=C(C)C)C(=O)N1

DOS

IR

Vibrations