Geometry & MOs

Info

ID:	183248
PubChem CID:	76998189
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-23.18
Dipole, Da:	5.93
IP(EA), eV:	-9.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropyl)-5-propyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)C2=C(C=CC=N2)C)N

DOS

IR

Vibrations