Geometry & MOs

Info

ID:	82470
PubChem CID:	49856072
Reduced:	ON4C24H24 (1)
Stoich.:	AB4C24D24 (1)
Weight, g/mol:	393.195346
ΔH_f, kcal/mol:	67.25
Dipole, Da:	6.04
IP(EA), eV:	-8.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylpyridin-4-yl)-5-methyl-2-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]imidazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations