Geometry & MOs

Info

ID:	162084
PubChem CID:	57393558
Reduced:	Cl2F3N3H10C15 (1)
Stoich.:	A2B3C3D10E15 (1)
Weight, g/mol:	421.153875
ΔH_f, kcal/mol:	-97.83
Dipole, Da:	5.55
IP(EA), eV:	-8.91(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-hydroxyphenyl)phenyl]-3-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)CN2C3=CC(=C(C=C3N=C2C(F)(F)F)Cl)Cl

DOS

IR

Vibrations