Geometry & MOs

Info

ID:	38231
PubChem CID:	8028338
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	3.21
IP(EA), eV:	-9.55(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylbenzonitrile

Drug info:

PubChemData

Smile

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)O[C@H](C)C(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations