Geometry & MOs

Info

ID:	125799
PubChem CID:	50939095
Reduced:	O3N6H26C30 (1)
Stoich.:	A3B6C26D30 (1)
Weight, g/mol:	296.011933
ΔH_f, kcal/mol:	45.27
Dipole, Da:	9.47
IP(EA), eV:	-8.53(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[2-(2,5-dichlorophenyl)hydrazinyl]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC(=C(N4)C5=CC(=CC=C5)OC)C6=CC(=CC=C6)OC)N

DOS

IR

Vibrations