Geometry & MOs

Info

ID:	342769
PubChem CID:	127265932
Reduced:	FO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	312.144707
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	3.56
IP(EA), eV:	-8.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-(4-pyrazol-1-ylpyrimidin-5-yl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1CNC(=O)NC2=CC3=C(COC3)C=C2)C4=CC=CC=C4F

DOS

IR

Vibrations