Geometry & MOs

Info

ID:	354346
PubChem CID:	127286472
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	3.14
IP(EA), eV:	-8.77(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations