Geometry & MOs

Info

ID:	218357
PubChem CID:	85089223
Reduced:	Br2N2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	451.179333
ΔH_f, kcal/mol:	-157.18
Dipole, Da:	3.57
IP(EA), eV:	-7.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-chlorophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methyl-(cyclohexylmethoxymethyl)-dimethylazanium;chloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N(CCBr)CCBr)OC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations