Geometry & MOs

Info

ID:	448718
PubChem CID:	135292958
Reduced:	IOSC4H9 (1)
Stoich.:	ABCD4E9 (1)
Weight, g/mol:	386.126657
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	3.22
IP(EA), eV:	-9.14(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxobenzo[e]isoindol-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CCSC(CO)I

DOS

IR

Vibrations