Geometry & MOs

Info

ID:	65759
PubChem CID:	46386833
Reduced:	ClO2N4H17C21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	392.104003
ΔH_f, kcal/mol:	12.57
Dipole, Da:	4.07
IP(EA), eV:	-8.36(-0.84)
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-(3-methoxyphenyl)urea

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)NC2=C(NC3=C2C=CC=C3Cl)C4=CC=NC=C4

DOS

IR

Vibrations