Geometry & MOs

Info

ID:	48836
PubChem CID:	11528383
Reduced:	NO3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	155.105862
ΔH_f, kcal/mol:	-100.04
Dipole, Da:	2.71
IP(EA), eV:	-10.14(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpropyl)-4,5-dihydro-2H-1,2,4-triazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C=C(C1=O)OC

DOS

IR

Vibrations