Geometry & MOs

Info

ID:	325435
PubChem CID:	126683266
Reduced:	BrNOH14C26 (1)
Stoich.:	ABCD14E26 (1)
Weight, g/mol:	395.03096
ΔH_f, kcal/mol:	105.44
Dipole, Da:	1.1
IP(EA), eV:	-8.16(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(4-bromonaphthalen-1-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)N(C4=CC=CC(=C43)C=C2)C5=CC6=C(C=C5)OC7=C6C=C(C=C7)Br

DOS

IR

Vibrations