Geometry & MOs

Info

ID:	247822
PubChem CID:	103076880
Reduced:	ClON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	294.099587
ΔH_f, kcal/mol:	24.81
Dipole, Da:	5.32
IP(EA), eV:	-9.82(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)N3CC4CCC(C4C3)O

DOS

IR

Vibrations