Geometry & MOs

Info

ID:	151305
PubChem CID:	53801034
Reduced:	ClOH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	448.320212
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	2.4
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,6-di(propan-2-yl)phenyl]-1-[2-(3-ethylpyrrolo[2,3-b]pyridin-1-yl)hexyl]urea

Drug info:

PubChemData

Smile

CC1=COC(=C1C)C2=C(C(=CO2)Cl)Cl

DOS

IR

Vibrations