Geometry & MOs

Info

ID:	157136
PubChem CID:	56422176
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	417.206385
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	9.95
IP(EA), eV:	-8.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-[(5-fluoro-2-piperidin-1-ylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OCCCC(=O)NC2=C(C=CC(=C2)F)N3CCCCC3

DOS

IR

Vibrations