Geometry & MOs

Info

ID:	431950
PubChem CID:	135172077
Reduced:	NO2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	3.99
IP(EA), eV:	-8.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-pent-1-en-2-yloxy-3H-thiopyran-6-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations