Geometry & MOs

Info

ID:	390326
PubChem CID:	134998498
Reduced:	O5N8C10H12 (1)
Stoich.:	A5B8C10D12 (1)
Weight, g/mol:	216.187801
ΔH_f, kcal/mol:	120.37
Dipole, Da:	4.43
IP(EA), eV:	-10.62(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-(2-methylpropyl)hex-1-enyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)N=[N+](C1=C(C=C2C(=C1)[N+](=N[N+](=N2)[O-])[O-])N[N+](=O)[O-])[O-]

DOS

IR

Vibrations