Geometry & MOs

Info

ID:	394706
PubChem CID:	135023582
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	448.02243
ΔH_f, kcal/mol:	16.79
Dipole, Da:	2.94
IP(EA), eV:	-8.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-5-[2-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

C1COC(C2=C1C=CC3=CC=CC=C32)NC4=CC=CC=C4

DOS

IR

Vibrations