Geometry & MOs

Info

ID:	348394
PubChem CID:	127273487
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	6.57
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-[3-(cyclopentanecarbonylamino)butanoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCCC4

DOS

IR

Vibrations