Geometry & MOs

Info

ID:	65661
PubChem CID:	46386725
Reduced:	OF3N4H15C21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	356.163711
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	2.49
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)C3=CN=CC=C3)NC(=O)NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations