Geometry & MOs

Info

ID:	387341
PubChem CID:	134985014
Reduced:	N2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	439.129708
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	5.1
IP(EA), eV:	-10.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-diphenylphosphoryl-2-nitro-1-(4-nitrophenyl)butan-1-amine

Drug info:

PubChemData

Smile

CCCCCC[C@@H]1C[C@H]([C@H]([C@@H]([C@@H]1[N+](=O)[O-])C2=CC=CC=C2)[N+](=O)[O-])O

DOS

IR

Vibrations