Geometry & MOs

Info

ID:	65688
PubChem CID:	46386753
Reduced:	ClON4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	422.114568
ΔH_f, kcal/mol:	29.65
Dipole, Da:	5.66
IP(EA), eV:	-8.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)C

DOS

IR

Vibrations