Geometry & MOs

Info

ID:	299406
PubChem CID:	117682835
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	35.15
Dipole, Da:	4.75
IP(EA), eV:	-9.08(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-6-(2-chlorophenyl)-3-methyl-1,5,6,7-tetrahydroindol-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(C(=C(O2)C)C#N)C3=CC=CC=C3

DOS

IR

Vibrations