Geometry & MOs

Info

ID:	446145
PubChem CID:	135272721
Reduced:	N7C22H23 (1)
Stoich.:	A7B22C23 (1)
Weight, g/mol:	424.176007
ΔH_f, kcal/mol:	130.53
Dipole, Da:	4.69
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=CC=CC(=N4)CC

DOS

IR

Vibrations