Geometry & MOs

Info

ID:	238649
PubChem CID:	92764875
Reduced:	ClON4C17H31 (1)
Stoich.:	ABC4D17E31 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	3.25
IP(EA), eV:	-8.25(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2-methylpropyl)piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CN2CCN([C@H](C2)CCO)CCC(C)C)Cl)C

DOS

IR

Vibrations