Geometry & MOs

Info

ID:	379665
PubChem CID:	134455398
Reduced:	O2N7C28H33 (1)
Stoich.:	A2B7C28D33 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	19.71
Dipole, Da:	6.21
IP(EA), eV:	-7.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[[7-(4-cyclopropyl-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C(=CC(=N2)NC3=NC=C(C=C3)N4CCC5(CC4)CCOCC5)NC6=CC=CC=C6OC

DOS

IR

Vibrations