Geometry & MOs

Info

ID:	280220
PubChem CID:	103847779
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	6.65
IP(EA), eV:	-9.28(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[(3-hydroxyoxolan-3-yl)methylamino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NCC2(CCOC2)O

DOS

IR

Vibrations