Geometry & MOs

Info

ID:	216475
PubChem CID:	85086291
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	273.123917
ΔH_f, kcal/mol:	-35.54
Dipole, Da:	3.16
IP(EA), eV:	-9.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxy-1-methoxy-5-oxo-5-(2-prop-2-enylphenyl)pent-1-ene-2-diazonium

Drug info:

PubChemData

Smile

COC(=O)C(=[N+]=[N-])CCC(=O)C1=CC=CC=C1CC=C

DOS

IR

Vibrations