Geometry & MOs

Info

ID:	364250
PubChem CID:	127314554
Reduced:	BrO2N5C14H16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-22.19
Dipole, Da:	4.4
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-(1-phenylethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=NC=NN2CC1NC(=O)CCN3C=C(C=CC3=O)Br

DOS

IR

Vibrations