Geometry & MOs

Info

ID:	137108
PubChem CID:	52152693
Reduced:	N3O5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	416.231122
ΔH_f, kcal/mol:	-162.76
Dipole, Da:	6.6
IP(EA), eV:	-8.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)[C@@H]2C(=C(C3=C(NC(=C3C)C)C)O)C(=O)C(=O)N2CCN(C)C)OC

DOS

IR

Vibrations