Geometry & MOs

Info

ID:	438262
PubChem CID:	135227990
Reduced:	BrN3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	433.03498
ΔH_f, kcal/mol:	48.59
Dipole, Da:	2.52
IP(EA), eV:	-8.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[bis(3-fluoropyridin-2-yl)methylamino]-5-bromopyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC(=CC(=N2)N)Br)C

DOS

IR

Vibrations