Geometry & MOs

Info

ID:	395592
PubChem CID:	135025898
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	441.230394
ΔH_f, kcal/mol:	4.59
Dipole, Da:	3.55
IP(EA), eV:	-8.5(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methoxypropan-2-yl)-4-phenylmethoxyphenyl]-3-methyl-3-prop-2-enylindol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C#CC(=O)OC)NC2=CC=CC=C2

DOS

IR

Vibrations