Geometry & MOs

Info

ID:	54276
PubChem CID:	16957323
Reduced:	FOSN5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	42.46
Dipole, Da:	5.35
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-(4-phenylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC(=CC=C3)F)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations