Geometry & MOs

Info

ID:	65649
PubChem CID:	46386713
Reduced:	ClON4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	380.084017
ΔH_f, kcal/mol:	44.61
Dipole, Da:	6.55
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations