Geometry & MOs

Info

ID:	53530
PubChem CID:	14716472
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	392.169585
ΔH_f, kcal/mol:	27.88
Dipole, Da:	14.2
IP(EA), eV:	-8.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(Z)-1-[4-[(Z)-2-diazonio-1-hydroxy-4,4-dimethyl-3-oxopent-1-enoxy]but-2-ynoxy]-1-hydroxy-4,4-dimethyl-3-oxopent-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCN1C2=CC(=C(C=C2C(CC1(C)C)C)N=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations