Geometry & MOs

Info

ID:	203217
PubChem CID:	79794115
Reduced:	N2O2F3C13H19 (1)
Stoich.:	A2B2C3D13E19 (1)
Weight, g/mol:	308.01604
ΔH_f, kcal/mol:	-227.56
Dipole, Da:	2.8
IP(EA), eV:	-9.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-bromo-5-methoxyanilino)methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC(C)CNCC1=NC=C(C=C1)OCC(C(F)(F)F)O

DOS

IR

Vibrations