Geometry & MOs

Info

ID:	183249
PubChem CID:	76998269
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	-87.76
Dipole, Da:	3.46
IP(EA), eV:	-9.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1C(=O)NC(=NC1=O)CCCN

DOS

IR

Vibrations