Geometry & MOs

Info

ID:	342346
PubChem CID:	127265169
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	335.115758
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	3.06
IP(EA), eV:	-9.42(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-3-(4-ethoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)CNC(=O)NC2CC23CCCCC3

DOS

IR

Vibrations