Geometry & MOs

Info

ID:	409104
PubChem CID:	135081880
Reduced:	N8O12H16C17 (1)
Stoich.:	A8B12C16D17 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	38.57
Dipole, Da:	8.62
IP(EA), eV:	-10.75(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-propylnitramide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)[N+](=O)[O-])N(CCCN(C2=C(C=C(C=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations