Geometry & MOs

Info

ID:	21451
PubChem CID:	588360
Reduced:	O2N3C7H13 (1)
Stoich.:	A2B3C7D13 (1)
Weight, g/mol:	171.100777
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	3.64
IP(EA), eV:	-8.88(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(2-hydroxyethyl)-2,5-dihydro-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

CCC1C(=O)N(NC=N1)CCO

DOS

IR

Vibrations