Geometry & MOs

Info

ID:	174613
PubChem CID:	75793047
Reduced:	N3O5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-98.9
Dipole, Da:	5.84
IP(EA), eV:	-9.43(-1.61)
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-prop-2-enoxyphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCN3CCCC3)O

DOS

IR

Vibrations