Geometry & MOs

Info

ID:	82157
PubChem CID:	49855700
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	458.289306
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	3.22
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations