Geometry & MOs

Info

ID:	413429
PubChem CID:	135086378
Reduced:	NSO2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	23.6
Dipole, Da:	2.21
IP(EA), eV:	-8.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-6-(4-methoxyphenyl)-3,3-dimethylhex-1-en-5-yn-2-olate

Drug info:

PubChemData

Smile

COC(=O)N1C(SC2=CC=CC=C21)C#CC3=CC=CC=C3

DOS

IR

Vibrations