Geometry & MOs

Info

ID:	174617
PubChem CID:	75793381
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-116.94
Dipole, Da:	18.09
IP(EA), eV:	-8.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCCCC3)[O-])C(=O)C4=CC=CO4

DOS

IR

Vibrations