Geometry & MOs

Info

ID:	145088
PubChem CID:	53458989
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	399.098097
ΔH_f, kcal/mol:	84.14
Dipole, Da:	3.45
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[4-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

C=CCOC1=C(C2=CC=CC=C2C=C1)CNC3NNNN3

DOS

IR

Vibrations