Geometry & MOs

Info

ID:	405299
PubChem CID:	135073444
Reduced:	N2O2C17H17 (1)
Stoich.:	A2B2C17D17 (1)
Weight, g/mol:	261.079466
ΔH_f, kcal/mol:	22.15
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865968
Charge, e:	1

Chem-info

IUPAC name:

(E)-1-(4-chlorophenyl)-2-hydroxy-5,5-dimethylhex-1-en-3-yne-1-diazonium

Drug info:

PubChemData

Smile

CO/C(=C(/CC1=CC=CC=C1CC2=CC=CC=C2)\[N+]#N)/O

DOS

IR

Vibrations