Geometry & MOs

Info

ID:	336192
PubChem CID:	127255199
Reduced:	N3O3H21C26 (1)
Stoich.:	A3B3C21D26 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	1.07
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations