Geometry & MOs

Info

ID:	351981
PubChem CID:	127282899
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	324.216141
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	4.04
IP(EA), eV:	-9.02(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(oxan-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NC3CCOCC3

DOS

IR

Vibrations