Geometry & MOs

Info

ID:	336151
PubChem CID:	127255158
Reduced:	ON8C15H18 (1)
Stoich.:	AB8C15D18 (1)
Weight, g/mol:	327.161663
ΔH_f, kcal/mol:	106.81
Dipole, Da:	8.07
IP(EA), eV:	-9.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NNC(=N1)C2=CC=CC=C2)N3C=NN=N3

DOS

IR

Vibrations