Geometry & MOs

Info

ID:	65760
PubChem CID:	46386834
Reduced:	ClO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	362.093439
ΔH_f, kcal/mol:	6.84
Dipole, Da:	5.84
IP(EA), eV:	-8.68(-1.21)
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-phenylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations