Geometry & MOs

Info

ID:	347654
PubChem CID:	127272520
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-165.5
Dipole, Da:	7.09
IP(EA), eV:	-8.7(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCC(CC3)CN4CCOCC4)O)C

DOS

IR

Vibrations