Geometry & MOs

Info

ID:	65697
PubChem CID:	46386763
Reduced:	ClO3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	358.119654
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	4.69
IP(EA), eV:	-8.88(-0.98)
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-methoxypropyl)urea

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)NC1=C(NC2=C1C=C(C=C2)Cl)C3=CN=CC=C3

DOS

IR

Vibrations