Geometry & MOs

Info

ID:	121960
PubChem CID:	50788024
Reduced:	ClON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	403.180839
ΔH_f, kcal/mol:	39.85
Dipole, Da:	2.94
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-benzylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(3-fluoro-4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NCCC2=NC3=C(N2CC4=CC=CC=C4)N=CC=C3)Cl

DOS

IR

Vibrations