Geometry & MOs

Info

ID:	24900
PubChem CID:	614297
Reduced:	N4H12C13 (1)
Stoich.:	A4B12C13 (1)
Weight, g/mol:	224.106196
ΔH_f, kcal/mol:	95.62
Dipole, Da:	4.7
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C3=CC=CC=C3)C

DOS

IR

Vibrations