Geometry & MOs

Info

ID:	288213
PubChem CID:	104313609
Reduced:	BrFN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	326.02302
ΔH_f, kcal/mol:	3.31
Dipole, Da:	2.47
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C(C2=C(C=CC=N2)Br)NC

DOS

IR

Vibrations