Geometry & MOs

Info

ID:	387045
PubChem CID:	134983781
Reduced:	N2O8C9H14 (1)
Stoich.:	A2B8C9D14 (1)
Weight, g/mol:	453.194008
ΔH_f, kcal/mol:	-201.44
Dipole, Da:	4.03
IP(EA), eV:	-11.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-methoxy-4-[2-nitro-1-(4-phenylmethoxyphenyl)ethyl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)C(C[N+](=O)[O-])C(C(=O)OCC)[N+](=O)[O-]

DOS

IR

Vibrations