Geometry & MOs

Info

ID:	345747
PubChem CID:	127270047
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	7.48
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cycloheptanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CSC=C2)C(=O)N3CCC(CC3)C(=O)N4CCCC4

DOS

IR

Vibrations