Geometry & MOs

Info

ID:	58568
PubChem CID:	24702329
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-91.51
Dipole, Da:	5.26
IP(EA), eV:	-8.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-(3,4,5-triethoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations