Geometry & MOs

Info

ID:	142948
PubChem CID:	53120914
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	33.11
Dipole, Da:	2.52
IP(EA), eV:	-9.13(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NC3=C2N=CC=C3)CN4CCN(CC4)C(=O)NCC5=CC=CO5

DOS

IR

Vibrations