Geometry & MOs

Info

ID:	434302
PubChem CID:	135174657
Reduced:	SN2O6C35H44 (1)
Stoich.:	AB2C6D35E44 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-157.52
Dipole, Da:	1.87
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@H](CNSC)OC1=CC2=C(C=C1)OC(=C2)C(=O)C(C)CCC(C)NC3CC(C3)OC4=CC5=C(C=C4)OC(=C5)C(=O)C(C)C

DOS

IR

Vibrations