Geometry & MOs

Info

ID:	65660
PubChem CID:	46386724
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	396.119796
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	6.11
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-pyridin-3-yl-1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)NC(=O)NC2=C(NC3=CC=CC=C32)C4=CN=CC=C4

DOS

IR

Vibrations