Geometry & MOs

Info

ID:	65762
PubChem CID:	46386837
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	376.109089
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	4.82
IP(EA), eV:	-8.47(-1.04)
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-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations