Geometry & MOs

Info

ID:	191593
PubChem CID:	78165495
Reduced:	N4O6H32C37 (1)
Stoich.:	A4B6C32D37 (1)
Weight, g/mol:	676.103189
ΔH_f, kcal/mol:	38.41
Dipole, Da:	5.63
IP(EA), eV:	-9.14(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1CC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3(C1)C(C4CCCCN4C35C6=CC=CC7=C6C(=CC=C7)C5=O)C8=CC(=CC=C8)[N+](=O)[O-]

DOS

IR

Vibrations