Geometry & MOs

Info

ID:	65685
PubChem CID:	46386750
Reduced:	ClO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	390.124739
ΔH_f, kcal/mol:	5.33
Dipole, Da:	6.23
IP(EA), eV:	-8.67(-1.21)
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-dimethylphenyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

DOS

IR

Vibrations