Geometry & MOs

Info

ID:	176860
PubChem CID:	76106137
Reduced:	N5O5C18H21 (1)
Stoich.:	A5B5C18D21 (1)
Weight, g/mol:	129.090212
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	6.68
IP(EA), eV:	-8.89(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

C1COCCN1NC(=O)CCCOC2C=CC3=NC4=NC(=O)CN4C(=O)C3=C2

DOS

IR

Vibrations