Geometry & MOs

Info

ID:	395287
PubChem CID:	135025088
Reduced:	N2O2H6C7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	5.89
IP(EA), eV:	-9.57(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(oxan-2-yloxy)butyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(NC=C(C2C3=CC=CC=C3)[N+](=O)[O-])NC1=O

DOS

IR

Vibrations