Geometry & MOs

Info

ID:	367610
PubChem CID:	127325100
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	-16.53
Dipole, Da:	4.52
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations