Geometry & MOs

Info

ID:	157144
PubChem CID:	56422188
Reduced:	FN4O4C21H25 (1)
Stoich.:	AB4C4D21E25 (1)
Weight, g/mol:	415.190734
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	7.55
IP(EA), eV:	-8.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetyl-2-[2-(5-fluoro-2-piperidin-1-ylanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COCCNC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)N3CCCCC3)[N+](=O)[O-]

DOS

IR

Vibrations