Geometry & MOs

Info

ID:	413091
PubChem CID:	135086035
Reduced:	SN2O3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	3.87
IP(EA), eV:	-8.97(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(cyclohexen-1-yl)-1-pyrrol-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CNC(=C1)S(=O)CC(C(=O)O)N

DOS

IR

Vibrations