Geometry & MOs

Info

ID:	361452
PubChem CID:	127303540
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	3.85
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylpropyl)pyrrolidin-1-yl]-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC1CNC(=O)C2CSCN2C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations