Geometry & MOs

Info

ID:	54705
PubChem CID:	17389133
Reduced:	OCl2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	379.102902
ΔH_f, kcal/mol:	13.94
Dipole, Da:	2.31
IP(EA), eV:	-9.67(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-methoxy-6-nitro-4-[[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CC1/C=N/NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations