Geometry & MOs

Info

ID:	143089
PubChem CID:	53144644
Reduced:	BrO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	372.135304
ΔH_f, kcal/mol:	-15.91
Dipole, Da:	5.78
IP(EA), eV:	-8.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C=C(C2=C1N=CC=C2)CCNC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations