Geometry & MOs

Info

ID:	128958
PubChem CID:	51064211
Reduced:	NOC4H8 (2)
Stoich.:	ABC4D8 (2)
Weight, g/mol:	628.00046
ΔH_f, kcal/mol:	-97.59
Dipole, Da:	3.67
IP(EA), eV:	-9.17(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2,4-dibromo-6-[[2-[4-(3,4-dimethylanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(CCC(=O)NN=C(C)C)O

DOS

IR

Vibrations