Geometry & MOs

Info

ID:	65761
PubChem CID:	46386835
Reduced:	ClON4H15C20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	50.95
Dipole, Da:	2.21
IP(EA), eV:	-8.5(-0.96)
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-(2,5-dimethoxyphenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC2=C(NC3=C2C=CC=C3Cl)C4=CC=NC=C4

DOS

IR

Vibrations