Geometry & MOs

Info

ID:	56330
PubChem CID:	17425113
Reduced:	ClO2F3N4C20H20 (1)
Stoich.:	AB2C3D4E20F20 (1)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	-198.76
Dipole, Da:	5.14
IP(EA), eV:	-9.36(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-2-methyl-N-(5-methylpyridin-2-yl)-5-pyrrol-1-ylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations