Geometry & MOs

Info

ID:	197172
PubChem CID:	78932311
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-141.57
Dipole, Da:	4.54
IP(EA), eV:	-8.97(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations