Geometry & MOs

Info

ID:	354331
PubChem CID:	127286457
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-115.11
Dipole, Da:	4.97
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-cyclopropylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NCCC3=CC4=C(C(=C3)Cl)OCCO4

DOS

IR

Vibrations