Geometry & MOs

Info

ID:	62770
PubChem CID:	26736691
Reduced:	OSN2C13H16 (2)
Stoich.:	ABC2D13E16 (2)
Weight, g/mol:	319.063616
ΔH_f, kcal/mol:	-54.11
Dipole, Da:	2.62
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSCCC(=O)NC4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations