Geometry & MOs

Info

ID:	430690
PubChem CID:	135170756
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	2.59
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-hydroxy-1-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3)C(=O)CCN

DOS

IR

Vibrations