Geometry & MOs

Info

ID:	330689
PubChem CID:	127248096
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	4.86
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)OC)CC2(CCN(C2)C(=O)C3=CN=CC=C3)O

DOS

IR

Vibrations