Geometry & MOs

Info

ID:	124994
PubChem CID:	50906682
Reduced:	Cl2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	369.172879
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	4.91
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(R)-1-benzofuran-2-yl-(naphthalen-1-ylamino)methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=C(C=C2)OCC3=CC(=CC=C3)OCC4=CC(=C(C=C4)Cl)Cl)O

DOS

IR

Vibrations