Geometry & MOs

Info

ID:	354219
PubChem CID:	127286183
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	2.15
Dipole, Da:	3.91
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-[4-(oxolan-2-ylmethoxy)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)NC(=O)N3CCN4CCCCC4C3)C

DOS

IR

Vibrations