Geometry & MOs

Info

ID:	330638
PubChem CID:	127248045
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	356.242356
ΔH_f, kcal/mol:	-109.17
Dipole, Da:	4.61
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCC(C3)(CN4CCOCC4)O

DOS

IR

Vibrations