Geometry & MOs

Info

ID:	26957
PubChem CID:	805341
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	339.066221
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	2.25
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H](C2)OC(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations