Geometry & MOs

Info

ID:	424269
PubChem CID:	135121982
Reduced:	ClNaO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	9.66
IP(EA), eV:	-9.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-amino-2-oxo-1,3-dihydropyrimidin-4-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC(=O)[O-].[Na+]

DOS

IR

Vibrations