Geometry & MOs

Info

ID:	151418
PubChem CID:	53801236
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	312.059365
ΔH_f, kcal/mol:	-156.69
Dipole, Da:	2.63
IP(EA), eV:	-9.62(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dinitro-2-phenylhexanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=NOC(=O)OC)N

DOS

IR

Vibrations