Geometry & MOs

Info

ID:	211439
PubChem CID:	80950626
Reduced:	N6C11H16 (1)
Stoich.:	A6B11C16 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	56.75
Dipole, Da:	2.77
IP(EA), eV:	-9.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2C(=NC(=N2)C)C)N

DOS

IR

Vibrations