Geometry & MOs

Info

ID:	225130
PubChem CID:	85741905
Reduced:	ClNO2C19H30 (1)
Stoich.:	ABC2D19E30 (1)
Weight, g/mol:	266.203451
ΔH_f, kcal/mol:	-113.68
Dipole, Da:	3.61
IP(EA), eV:	-8.24(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-diethyl-6-phenyl-1,2,3,4,5,6-hexahydronaphthalene

Drug info:

PubChemData

Smile

CCCCC(C)(C)C1C2=CC3=C(C=C2CC(N1C)C)OCO3.Cl

DOS

IR

Vibrations