Geometry & MOs

Info

ID:	183401
PubChem CID:	77018073
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	297.039058
ΔH_f, kcal/mol:	-110.86
Dipole, Da:	3.0
IP(EA), eV:	-8.77(0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(6-chloropyridin-3-yl)methyl]-1-methyl-5-nitro-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCN1CCC(=O)N(C1=O)CCNC(C)C

DOS

IR

Vibrations