Geometry & MOs

Info

ID:	221211
PubChem CID:	85257275
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	298.133396
ΔH_f, kcal/mol:	-124.55
Dipole, Da:	3.64
IP(EA), eV:	-10.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-diethoxyphosphorylprop-1-enyl)-3-methoxy-5-methylbenzene

Drug info:

PubChemData

Smile

C1CN(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3CC(C=C3)O

DOS

IR

Vibrations