Geometry & MOs

Info

ID:	33006
PubChem CID:	7850058
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-112.35
Dipole, Da:	7.04
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC=CC(=C2)C(=O)C

DOS

IR

Vibrations