Geometry & MOs

Info

ID:	183250
PubChem CID:	76998270
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	1.41
IP(EA), eV:	-9.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylaminomethyl)-5-methylidene-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC(=C1C(=O)NC(=NC1=O)CCCN)C

DOS

IR

Vibrations