Geometry & MOs

Info

ID:	297520
PubChem CID:	117619552
Reduced:	FON6H21C24 (1)
Stoich.:	ABC6D21E24 (1)
Weight, g/mol:	423.145756
ΔH_f, kcal/mol:	21.59
Dipole, Da:	4.48
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC(=C3)C)NC4=NC=NC5=C4C=CN5

DOS

IR

Vibrations