Geometry & MOs

Info

ID:	425958
PubChem CID:	135133557
Reduced:	PO4N5C15H24 (1)
Stoich.:	AB4C5D15E24 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-81.39
Dipole, Da:	7.12
IP(EA), eV:	-10.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-hydroxy-4-phenylmethoxybutyl)-3-oxaspiro[5.5]undec-10-en-9-one

Drug info:

PubChemData

Smile

CN1C(=CN=C1C(C2CCCCC2)OP(=O)(N3CC3)N4CC4)[N+](=O)[O-]

DOS

IR

Vibrations