Geometry & MOs

Info

ID:	233528
PubChem CID:	91145292
Reduced:	ClN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	423.044041
ΔH_f, kcal/mol:	-90.74
Dipole, Da:	4.48
IP(EA), eV:	-8.89(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(3,4-dichlorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCCN1CCNCC1C(=O)OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations