Geometry & MOs

Info

ID:	302863
PubChem CID:	124397762
Reduced:	F3N3O6C14H14 (1)
Stoich.:	A3B3C6D14E14 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-366.74
Dipole, Da:	5.71
IP(EA), eV:	-9.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(2-methoxyphenyl)-(6-methoxypyridin-3-yl)methanol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)C#CCNC(=O)C(F)(F)F)CO)O

DOS

IR

Vibrations