Geometry & MOs

Info

ID:	127234
PubChem CID:	50995472
Reduced:	BrO2N5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	413.165188
ΔH_f, kcal/mol:	54.92
Dipole, Da:	7.13
IP(EA), eV:	-9.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-methylphenyl)-3-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]urea

Drug info:

PubChemData

Smile

C1CC1CN2C3=C(C(=C(C=C3)OC4=C(C=CC=N4)C(=O)N)Br)N=N2

DOS

IR

Vibrations