Geometry & MOs

Info

ID:	446147
PubChem CID:	135272727
Reduced:	N4H10C11 (2)
Stoich.:	A4B10C11 (2)
Weight, g/mol:	378.137514
ΔH_f, kcal/mol:	169.86
Dipole, Da:	7.96
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(6-ethylpyridin-2-yl)methyl]triazol-4-yl]-6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC=C1)CN2C=C(N=N2)C3=NC(=NC(=C3C)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations