Geometry & MOs

Info

ID:	432027
PubChem CID:	135172159
Reduced:	N2O5C19H28 (1)
Stoich.:	A2B5C19D28 (1)
Weight, g/mol:	170.112922
ΔH_f, kcal/mol:	-129.02
Dipole, Da:	4.66
IP(EA), eV:	-8.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-methylidene-3-propan-2-ylthiolane

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)OC)C1=C(C=C(C=C1)/C(=C/C(=O)OC)/C)[N+](=O)[O-]

DOS

IR

Vibrations