Geometry & MOs

Info

ID:	201181
PubChem CID:	79502032
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-84.88
Dipole, Da:	4.24
IP(EA), eV:	-9.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylaminomethyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCNCC1=NC(=O)C2(CCCCC2)C(=O)N1

DOS

IR

Vibrations