Geometry & MOs

Info

ID:	43346
PubChem CID:	10321159
Reduced:	ClO3N4H15C24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	442.193567
ΔH_f, kcal/mol:	13.37
Dipole, Da:	4.23
IP(EA), eV:	-9.33(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=C(O4)C(=O)N)C5=NC=C(C=C5)Cl

DOS

IR

Vibrations