Geometry & MOs

Info

ID:	335507
PubChem CID:	127254369
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	355.192963
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	3.39
IP(EA), eV:	-8.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-propan-2-ylsulfonylpiperazin-1-yl)-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC4=C(N3)C=CC(=C4)OC

DOS

IR

Vibrations