Geometry & MOs

Info

ID:	193660
PubChem CID:	78421385
Reduced:	O5N6C21H22 (1)
Stoich.:	A5B6C21D22 (1)
Weight, g/mol:	335.086583
ΔH_f, kcal/mol:	-71.76
Dipole, Da:	5.23
IP(EA), eV:	-9.14(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dioxo-1,3-diazinan-4-yl)-N'-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC(=O)C=C3O)CCOC4=CC=CC=C4

DOS

IR

Vibrations