Geometry & MOs

Info

ID:	142350
PubChem CID:	53019849
Reduced:	ClON5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	47.2
Dipole, Da:	5.01
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(N2CCNC(=O)NC4=CC(=CC=C4)Cl)N=CC=C3

DOS

IR

Vibrations