Geometry & MOs

Info

ID:	27540
PubChem CID:	821879
Reduced:	ClNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	319.118158
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	4.17
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CSC2=C1C=C(C=C2)Cl)C#N

DOS

IR

Vibrations