Geometry & MOs

Info

ID:	17539
PubChem CID:	503711
Reduced:	N3O3C8H13 (1)
Stoich.:	A3B3C8D13 (1)
Weight, g/mol:	199.095691
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	6.44
IP(EA), eV:	-9.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[[(1S)-1-hydroxypropoxy]methyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC[C@@H](O)OCN1C=CC(=NC1=O)N

DOS

IR

Vibrations