Geometry & MOs

Info

ID:	351959
PubChem CID:	127282877
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-100.79
Dipole, Da:	3.62
IP(EA), eV:	-9.13(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(5-ethylthiophen-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC1CNC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations