Geometry & MOs

Info

ID:	202196
PubChem CID:	79640895
Reduced:	NO3C16H33 (1)
Stoich.:	AB3C16D33 (1)
Weight, g/mol:	271.251129
ΔH_f, kcal/mol:	-179.05
Dipole, Da:	3.99
IP(EA), eV:	-9.0(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCCCOCCOC1CCCC(C1)(CO)NC(C)C

DOS

IR

Vibrations