Geometry & MOs

Info

ID:	413569
PubChem CID:	135086518
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	277.110279
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	1.62
IP(EA), eV:	-9.16(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one

Drug info:

PubChemData

Smile

C=CCCC/C=C/NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations