Geometry & MOs

Info

ID:	270121
PubChem CID:	103629330
Reduced:	BrON2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	324.02735
ΔH_f, kcal/mol:	31.12
Dipole, Da:	5.26
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)NC3=CN=C(C=C3)Br

DOS

IR

Vibrations