Geometry & MOs

Info

ID:	449467
PubChem CID:	135298865
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	355.251129
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	3.95
IP(EA), eV:	-9.7(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethyl-5-[2-[4-(1-phenylethylidene)piperidin-1-yl]ethyl]oxolan-2-one

Drug info:

PubChemData

Smile

C1=C(C(=O)C(=CC1=CNNC=C2C=C(C(=O)C(=C2)C=O)C=O)CO)CO

DOS

IR

Vibrations