Geometry & MOs

Info

ID:	367006
PubChem CID:	127322612
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-135.02
Dipole, Da:	3.53
IP(EA), eV:	-8.94(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(2-methylazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN(C)C2CCC3=CC=CC=C3C2

DOS

IR

Vibrations