Geometry & MOs

Info

ID:	428632
PubChem CID:	135167812
Reduced:	NC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	340.308979
ΔH_f, kcal/mol:	51.51
Dipole, Da:	3.11
IP(EA), eV:	-8.54(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methoxymethyl]piperazine

Drug info:

PubChemData

Smile

CC1(C=CC=C2C(=C1)CC=N2)C

DOS

IR

Vibrations