Geometry & MOs

Info

ID:	222560
PubChem CID:	85305523
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	370.168128
ΔH_f, kcal/mol:	-163.3
Dipole, Da:	2.93
IP(EA), eV:	-9.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-benzoylpyrrol-2-yl)methylidene]-1-benzylpiperidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CO)C=O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations