Geometry & MOs

Info

ID:	143088
PubChem CID:	53144093
Reduced:	NO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	416.08479
ΔH_f, kcal/mol:	-11.35
Dipole, Da:	2.62
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations