Geometry & MOs

Info

ID:	123549
PubChem CID:	50853426
Reduced:	OF3N3H14C15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	267.100777
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	5.23
IP(EA), eV:	-8.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=C1)/C=N/NC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations