Geometry & MOs

Info

ID:	65733
PubChem CID:	46386801
Reduced:	ClO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	2.41
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-(2,5-dimethoxyphenyl)urea

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4

DOS

IR

Vibrations