Geometry & MOs

Info

ID:	345762
PubChem CID:	127270062
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	387.219178
ΔH_f, kcal/mol:	-41.25
Dipole, Da:	5.88
IP(EA), eV:	-9.26(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)C3CCCCCC3

DOS

IR

Vibrations