Geometry & MOs

Info

ID:	65736
PubChem CID:	46386805
Reduced:	ClO3N4H19C23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	4.65
IP(EA), eV:	-8.8(-0.97)
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-(3,5-dimethoxyphenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations