Geometry & MOs

Info

ID:	126432
PubChem CID:	50964867
Reduced:	ClN5H16C19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	118.02
Dipole, Da:	4.88
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=C(N=CN2CC3=CN=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations