Geometry & MOs

Info

ID:	271344
PubChem CID:	103655024
Reduced:	NO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	301.225308
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	1.28
IP(EA), eV:	-9.64(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(hydroxymethyl)oxan-4-yl]amino]-3-(4-methylcyclohexyl)oxypropan-2-ol

Drug info:

PubChemData

Smile

CCCCOC(=O)CNC1(CCOCC1)CO

DOS

IR

Vibrations