Geometry & MOs

Info

ID:	27752
PubChem CID:	823432
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	289.030584
ΔH_f, kcal/mol:	-119.03
Dipole, Da:	2.25
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@]([C@@H]3C2=O)(O4)CO

DOS

IR

Vibrations