Geometry & MOs

Info

ID:	439503
PubChem CID:	135229277
Reduced:	SC37H54 (1)
Stoich.:	AB37C54 (1)
Weight, g/mol:	340.320212
ΔH_f, kcal/mol:	36.46
Dipole, Da:	1.55
IP(EA), eV:	-7.22(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1(CCCC2=CC3C(C=C21)C4C=C5C(=C6C4C3S6(C)C7CCC8C7CCCC8)C(CCC5(C)C)(C)C)C

DOS

IR

Vibrations