Geometry & MOs

Info

ID:	345755
PubChem CID:	127270055
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	239.188529
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	3.36
IP(EA), eV:	-9.11(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-(2-ethylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CSC=C2)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations