Geometry & MOs

Info

ID:	149526
PubChem CID:	53789199
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	404.098467
ΔH_f, kcal/mol:	0.88
Dipole, Da:	5.65
IP(EA), eV:	-9.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-diethoxyphosphoryl-3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CC(C#CC2=CC=CC=C2)C3=CC(=CC=C3)OCOC4CCCC4

DOS

IR

Vibrations