Geometry & MOs

Info

ID:	393972
PubChem CID:	135022075
Reduced:	NO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-161.7
Dipole, Da:	7.23
IP(EA), eV:	-10.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-but-3-enyl-4-phenyl-1H-pyrrol-3-yl)pent-4-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC=C1C(=O)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations