Geometry & MOs

Info

ID:	12829
PubChem CID:	146426
Reduced:	BrNO2C21H28 (1)
Stoich.:	ABC2D21E28 (1)
Weight, g/mol:	405.13034
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	1.9
IP(EA), eV:	-8.8(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(dimethylamino)-2,2-dimethyl-3,4-dihydronaphthalene-1,7-diol;hydrobromide

Drug info:

PubChemData

Smile

CC1(C(CC2=C(C1(CC3=CC=CC=C3)O)C=C(C=C2)O)N(C)C)C.Br

DOS

IR

Vibrations