Geometry & MOs

Info

ID:	65764
PubChem CID:	46386839
Reduced:	ClO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	406.119654
ΔH_f, kcal/mol:	9.75
Dipole, Da:	2.38
IP(EA), eV:	-8.39(-1.15)
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-ethoxyphenyl)urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)NC2=C(NC3=C2C=CC=C3Cl)C4=CC=NC=C4

DOS

IR

Vibrations