Geometry & MOs

Info

ID:	183283
PubChem CID:	77001245
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	2.96
IP(EA), eV:	-9.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentan-3-yl-5-propan-2-ylidene-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations