Geometry & MOs

Info

ID:	191225
PubChem CID:	78120092
Reduced:	NO5C43H63 (1)
Stoich.:	AB5C43D63 (1)
Weight, g/mol:	345.033477
ΔH_f, kcal/mol:	-263.63
Dipole, Da:	2.76
IP(EA), eV:	-8.98(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-methoxypyridin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)CN6CCOCC6)C)C)C2C1)C)C(=O)OCC7=CC=CC=C7)C

DOS

IR

Vibrations