Geometry & MOs

Info

ID:	251316
PubChem CID:	103103001
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	244.072703
ΔH_f, kcal/mol:	-76.69
Dipole, Da:	4.09
IP(EA), eV:	-8.75(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=NC=CC(=C1)[C@H](C)O

DOS

IR

Vibrations