Geometry & MOs

Info

ID:	154701
PubChem CID:	56314206
Reduced:	BrFO2N5H17C23 (1)
Stoich.:	ABC2D5E17F23 (1)
Weight, g/mol:	493.08619
ΔH_f, kcal/mol:	3.77
Dipole, Da:	7.15
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations