Geometry & MOs

Info

ID:	414433
PubChem CID:	135087391
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-48.1
Dipole, Da:	4.25
IP(EA), eV:	-8.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CC3=CSC4=NCCCN34

DOS

IR

Vibrations