Geometry & MOs

Info

ID:	353342
PubChem CID:	127284671
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	1.59
IP(EA), eV:	-9.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butylpyrrolidin-1-yl)-(oxan-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN1C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations