Geometry & MOs

Info

ID:	145264
PubChem CID:	53490090
Reduced:	FO2N6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	9.6
Dipole, Da:	4.88
IP(EA), eV:	-9.65(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-5-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C2=CN(C=N2)C3=C(C=CC=N3)C4=NC(=NO4)C(C)(C)C

DOS

IR

Vibrations