Geometry & MOs

Info

ID:	211438
PubChem CID:	80950625
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	232.143645
ΔH_f, kcal/mol:	48.13
Dipole, Da:	4.87
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2C=CN=C2C)N

DOS

IR

Vibrations