Geometry & MOs

Info

ID:	19900
PubChem CID:	574789
Reduced:	NOC9H18 (2)
Stoich.:	ABC9D18 (2)
Weight, g/mol:	312.277678
ΔH_f, kcal/mol:	-132.71
Dipole, Da:	3.06
IP(EA), eV:	-8.23(2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OCC(CN2CCN(CC2)C)O)C(C)C

DOS

IR

Vibrations