Geometry & MOs

Info

ID:	197182
PubChem CID:	78934115
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	248.087101
ΔH_f, kcal/mol:	-149.38
Dipole, Da:	4.76
IP(EA), eV:	-8.94(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(thiophen-2-ylmethoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)C(C)OC1=CC=C(C=C1)[C@H](CC)O

DOS

IR

Vibrations