Geometry & MOs

Info

ID:	399542
PubChem CID:	135040845
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	4.53
IP(EA), eV:	-9.19(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-3-hydroxy-2H-1-benzofuran-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)NC[C@@H](CCC1=CC=CC=C1)N

DOS

IR

Vibrations