Geometry & MOs

Info

ID:	363861
PubChem CID:	127313518
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	4.39
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations