Geometry & MOs

Info

ID:	52404
PubChem CID:	12015259
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	314.150467
ΔH_f, kcal/mol:	-130.05
Dipole, Da:	2.76
IP(EA), eV:	-8.05(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-1-hydroxy-1-methoxy-5-methyl-5-(1-methylindol-3-yl)-3-oxohex-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CC(C)(C)C1CN(C2=CC=CC=C12)C

DOS

IR

Vibrations