Geometry & MOs

Info

ID:	351929
PubChem CID:	127282847
Reduced:	O3N5C19H33 (1)
Stoich.:	A3B5C19D33 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-154.2
Dipole, Da:	5.03
IP(EA), eV:	-9.04(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NCC(=O)N3CCCC3

DOS

IR

Vibrations