Geometry & MOs

Info

ID:	174614
PubChem CID:	75793378
Reduced:	N2O5C25H28 (1)
Stoich.:	A2B5C25D28 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-109.88
Dipole, Da:	5.27
IP(EA), eV:	-8.87(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-carbonyl)-5-oxo-1-(2-piperidin-1-ium-1-ylethyl)-2-(3-propoxyphenyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCN3CCCCC3)O)C(=O)C4=CC=CO4

DOS

IR

Vibrations