Geometry & MOs

Info

ID:	27886
PubChem CID:	824031
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	244.051574
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	2.21
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CN3CCCCC3

DOS

IR

Vibrations