Geometry & MOs

Info

ID:	65771
PubChem CID:	46386851
Reduced:	ClO2N4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	394.099667
ΔH_f, kcal/mol:	17.64
Dipole, Da:	2.87
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)NC(=C2NC(=O)NCC3=CC=CO3)C4=CC=NC=C4

DOS

IR

Vibrations