Geometry & MOs

Info

ID:	192376
PubChem CID:	78262884
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	359.197082
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	4.3
IP(EA), eV:	-8.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC=C(C1=CC=C(C=C1)O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations