Geometry & MOs

Info

ID:	368092
PubChem CID:	127327468
Reduced:	N5C13H17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	263.084081
ΔH_f, kcal/mol:	86.62
Dipole, Da:	3.78
IP(EA), eV:	-8.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-methyl-6-(3-methylsulfinyl-1,2,4-triazol-4-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N(C)CC3=CC=NN3

DOS

IR

Vibrations