Geometry & MOs

Info

ID:	423612
PubChem CID:	135119853
Reduced:	ON6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	260.174945
ΔH_f, kcal/mol:	41.42
Dipole, Da:	2.87
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(C1=NC(=NO1)C)NC2=NC=CC(=N2)N(C)CC

DOS

IR

Vibrations