Geometry & MOs

Info

ID:	441940
PubChem CID:	135246811
Reduced:	F2O2N3H15C18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	4.07
IP(EA), eV:	-9.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(3-bromopyridin-2-yl)oxyphenyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC2=NC=NC=C2C3=C(N=CC=C3)OC)(F)F

DOS

IR

Vibrations