Geometry & MOs

Info

ID:	380144
PubChem CID:	134965144
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-111.05
Dipole, Da:	3.45
IP(EA), eV:	-8.8(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-7-bromo-1-methyl-2-nitro-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)COC(=O)C2CCC2

DOS

IR

Vibrations