Geometry & MOs

Info

ID:	371912
PubChem CID:	131279618
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	277.01023
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	5.13
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-2-methoxy-4-phenylpyridine

Drug info:

PubChemData

Smile

C[C@@](C1=CC2=C(N1)C=C(C=C2)Br)(C(=O)O)N

DOS

IR

Vibrations