Geometry & MOs

Info

ID:	338345
PubChem CID:	127259037
Reduced:	N2O3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	455.128645
ΔH_f, kcal/mol:	-88.21
Dipole, Da:	1.58
IP(EA), eV:	-9.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-nitrophenyl)-(triphenyl-lambda5-phosphanylidene)methyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=NC=CN=C1

DOS

IR

Vibrations