Geometry & MOs

Info

ID:	60745
PubChem CID:	26697542
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-82.44
Dipole, Da:	5.51
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3CCCC3

DOS

IR

Vibrations