Geometry & MOs

Info

ID:	308208
PubChem CID:	125317256
Reduced:	O5N6C12H12 (1)
Stoich.:	A5B6C12D12 (1)
Weight, g/mol:	320.086918
ΔH_f, kcal/mol:	16.15
Dipole, Da:	8.82
IP(EA), eV:	-9.04(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-[2-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-methyl-6H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N=C(N=N1)NNC=C2C=C(C=C(C2=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations