Geometry & MOs

Info

ID:	21202
PubChem CID:	587622
Reduced:	ClNO4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	413.139386
ΔH_f, kcal/mol:	-145.56
Dipole, Da:	3.75
IP(EA), eV:	-8.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC(C)(C)C

DOS

IR

Vibrations