Geometry & MOs

Info

ID:	325094
PubChem CID:	126680608
Reduced:	FN4O4C19H25 (1)
Stoich.:	AB4C4D19E25 (1)
Weight, g/mol:	409.251798
ΔH_f, kcal/mol:	-194.4
Dipole, Da:	6.77
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2-methyl-4-propan-2-ylphenyl)-1-(4-phenyl-2-propan-2-ylphenyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)N=C(N2)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)OC)NC(=O)OC

DOS

IR

Vibrations