Geometry & MOs

Info

ID:	121961
PubChem CID:	50788025
Reduced:	FON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	435.06947
ΔH_f, kcal/mol:	1.29
Dipole, Da:	3.76
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-3-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations