Geometry & MOs

Info

ID:	282790
PubChem CID:	103938941
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	265.091435
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	3.8
IP(EA), eV:	-8.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(2,4-difluorophenoxy)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CCN3C(C2)CCC3=O)O

DOS

IR

Vibrations