Geometry & MOs

Info

ID:	174615
PubChem CID:	75793379
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-129.57
Dipole, Da:	18.68
IP(EA), eV:	-8.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCCCC3)[O-])C(=O)C4=CC=CO4

DOS

IR

Vibrations