Geometry & MOs

Info

ID:	126117
PubChem CID:	50952529
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	2.77
IP(EA), eV:	-8.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-4-[(2-hydroxy-6-methoxyphenyl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C)CC2=CN=C(S2)N3CCOCC3

DOS

IR

Vibrations