Geometry & MOs

Info

ID:	186000
PubChem CID:	77375957
Reduced:	N3F4O5H17C22 (1)
Stoich.:	A3B4C5D17E22 (1)
Weight, g/mol:	389.256609
ΔH_f, kcal/mol:	-285.59
Dipole, Da:	8.33
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[5-(dimethylamino)-2,2,4-trimethyl-6-propan-2-yl-3H-1-benzofuran-7-yl]ethyl]-4-hydroxyoxan-2-one

Drug info:

PubChemData

Smile

C1COC2CN(CC2N1)C3=C(C=C4C(=C3F)N(C=C(C4=O)OC(=O)O)C5=C(C=C(C=C5)F)F)F

DOS

IR

Vibrations