Geometry & MOs

Info

ID:	216220
PubChem CID:	85085910
Reduced:	NO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	243.110673
ΔH_f, kcal/mol:	-226.29
Dipole, Da:	5.92
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-hydroxy-3-(nitromethylidene)pentan-2-yl]oxan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=CCCC(=O)OC)NC(=O)C

DOS

IR

Vibrations