Geometry & MOs

Info

ID:	65694
PubChem CID:	46386759
Reduced:	ClON4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	430.080823
ΔH_f, kcal/mol:	40.36
Dipole, Da:	5.57
IP(EA), eV:	-8.46(-0.95)
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-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations