Geometry & MOs

Info

ID:	298161
PubChem CID:	117647848
Reduced:	ON3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	450.00169
ΔH_f, kcal/mol:	31.64
Dipole, Da:	5.98
IP(EA), eV:	-7.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(3-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)/C=C/3\C4=C(C=CC(=C4)N)NC3=O

DOS

IR

Vibrations