Geometry & MOs

Info

ID:	11979
PubChem CID:	125471
Reduced:	O3N5C7H13 (1)
Stoich.:	A3B5C7D13 (1)
Weight, g/mol:	215.101839
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	10.27
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-5-[2-hydroxyethyl(hydroxymethyl)amino]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C(CO)N(CO)C1=C(NC(=NC1=O)N)N

DOS

IR

Vibrations