Geometry & MOs

Info

ID:	142347
PubChem CID:	53019593
Reduced:	OSN6C17H26 (1)
Stoich.:	ABC6D17E26 (1)
Weight, g/mol:	341.165188
ΔH_f, kcal/mol:	20.69
Dipole, Da:	8.71
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC)C2=NN(C3=C2CN(CC3)C(=O)C(C)(C)C)C

DOS

IR

Vibrations