Geometry & MOs

Info

ID:	82468
PubChem CID:	49856070
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	389.140723
ΔH_f, kcal/mol:	79.51
Dipole, Da:	5.4
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-chloropyridin-3-yl)phenyl]-2-(2,6-dimethylpyridin-4-yl)-5-methylimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CN=CN=C4

DOS

IR

Vibrations