Geometry & MOs

Info

ID:	387345
PubChem CID:	134985021
Reduced:	SN2O7C17H22 (1)
Stoich.:	AB2C7D17E22 (1)
Weight, g/mol:	204.111007
ΔH_f, kcal/mol:	-195.84
Dipole, Da:	5.91
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3,3-dinitrohexane

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations