Geometry & MOs

Info

ID:	62823
PubChem CID:	26737024
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	299.118238
ΔH_f, kcal/mol:	-185.36
Dipole, Da:	5.49
IP(EA), eV:	-9.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)OC1=O

DOS

IR

Vibrations