Geometry & MOs

Info

ID:	153549
PubChem CID:	56312797
Reduced:	BrO3N4H13C17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	465.05489
ΔH_f, kcal/mol:	-0.26
Dipole, Da:	3.95
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations