Geometry & MOs

Info

ID:	394707
PubChem CID:	135023587
Reduced:	BrC11H12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	401.177964
ΔH_f, kcal/mol:	-1.9
Dipole, Da:	0.99
IP(EA), eV:	-9.05(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(4-methoxyphenyl)-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)CBr)CBr

DOS

IR

Vibrations