Geometry & MOs

Info

ID:	154149
PubChem CID:	56313548
Reduced:	NOF2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	3.64
IP(EA), eV:	-9.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-4-oxo-N-(3-phenylbutyl)-5,7-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CCC1=C(C=CC=C1F)F)C2=CC=CC=C2

DOS

IR

Vibrations