Geometry & MOs

Info

ID:	149117
PubChem CID:	53788789
Reduced:	SN3O5C14H17 (1)
Stoich.:	AB3C5D14E17 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-109.85
Dipole, Da:	4.0
IP(EA), eV:	-9.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-2-yldiazenyl]benzoate

Drug info:

PubChemData

Smile

CNC(=O)C1CC(CN1C(=O)OC(C2=CC=CC=C2)[N+](=O)[O-])S

DOS

IR

Vibrations