Geometry & MOs

Info

ID:	276940
PubChem CID:	103825874
Reduced:	BrF2N2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	298.092912
ΔH_f, kcal/mol:	-29.78
Dipole, Da:	4.69
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-fluoropyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNC2=CN=C(C=C2)F)F

DOS

IR

Vibrations