Geometry & MOs

Info

ID:	351949
PubChem CID:	127282867
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	389.24269
ΔH_f, kcal/mol:	-78.79
Dipole, Da:	4.64
IP(EA), eV:	-9.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCCC3=CN=CC=C3

DOS

IR

Vibrations