Geometry & MOs

Info

ID:	62331
PubChem CID:	26719283
Reduced:	NO2F4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	-210.04
Dipole, Da:	2.98
IP(EA), eV:	-8.63(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-chloro-N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(OC3=C2C(=C(C(=C3F)F)F)F)C)C

DOS

IR

Vibrations