Geometry & MOs

Info

ID:	174612
PubChem CID:	75792489
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	1.72
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(2-methylpropanoyl)-2-(4-nitrophenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2C(C(=C(C2=O)O)C(=O)C=CC3=CC=CO3)C4=CC=CO4

DOS

IR

Vibrations