Geometry & MOs

Info

ID:	159727
PubChem CID:	57288672
Reduced:	Cl2N3O8H21C23 (1)
Stoich.:	A2B3C8D21E23 (1)
Weight, g/mol:	354.328651
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	5.9
IP(EA), eV:	-9.59(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-(1-hexylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

CCCCC(C(=O)NCC1=CC=CO1)OC2=C(C=CC(=C2[N+](=O)[O-])OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations