Geometry & MOs

Info

ID:	197828
PubChem CID:	79004664
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-134.47
Dipole, Da:	2.23
IP(EA), eV:	-9.55(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(3-ethoxypropoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CNC(=O)[C@H](C)N)O

DOS

IR

Vibrations