Geometry & MOs

Info

ID:	205083
PubChem CID:	80053541
Reduced:	BrN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	74.57
Dipole, Da:	1.62
IP(EA), eV:	-8.71(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentanoate

Drug info:

PubChemData

Smile

C1CC2CC1CC2CNC3=NN4C=CC=C(C4=N3)Br

DOS

IR

Vibrations