Geometry & MOs

Info

ID:	378234
PubChem CID:	134224310
Reduced:	Cl2N3O3H13C20 (1)
Stoich.:	A2B3C3D13E20 (1)
Weight, g/mol:	451.135049
ΔH_f, kcal/mol:	-20.08
Dipole, Da:	9.8
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[3-(2-chloro-1-methylcyclohexa-2,4-diene-1-carbonyl)indol-1-yl]-3-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=O)C(=N)C2=C(N=CC=C2)NC3=CC=C(C=C3)C(=O)O)Cl

DOS

IR

Vibrations