Geometry & MOs

Info

ID:	72882
PubChem CID:	48416646
Reduced:	O4N5C16H21 (1)
Stoich.:	A4B5C16D21 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	6.22
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)C(=O)N2CCCC(C2)N3CCNC3=O)[N+](=O)[O-]

DOS

IR

Vibrations