Geometry & MOs

Info

ID:	247623
PubChem CID:	103072447
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	214.070205
ΔH_f, kcal/mol:	18.53
Dipole, Da:	2.19
IP(EA), eV:	-9.13(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C=NC=CC2=O

DOS

IR

Vibrations