Geometry & MOs

Info

ID:	65695
PubChem CID:	46386760
Reduced:	ClOF3N4H14C21 (1)
Stoich.:	ABC3D4E14F21 (1)
Weight, g/mol:	390.124739
ΔH_f, kcal/mol:	-109.57
Dipole, Da:	4.77
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)-3-(2,4-dimethylphenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations