Geometry & MOs

Info

ID:	410606
PubChem CID:	135083406
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	301.106256
ΔH_f, kcal/mol:	29.86
Dipole, Da:	5.49
IP(EA), eV:	-9.74(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide

Drug info:

PubChemData

Smile

CCCN(C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations