Geometry & MOs

Info

ID:	177044
PubChem CID:	76129286
Reduced:	ClFN3O4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-146.47
Dipole, Da:	7.57
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(1-ethylpyrrol-2-yl)-phenylmethylidene]amino]oxyethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=C)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Cl)OCOC

DOS

IR

Vibrations