Geometry & MOs

Info

ID:	325436
PubChem CID:	126683274
Reduced:	BrNH14C24 (1)
Stoich.:	ABC14D24 (1)
Weight, g/mol:	471.06226
ΔH_f, kcal/mol:	124.74
Dipole, Da:	1.13
IP(EA), eV:	-8.21(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-[4-(4-bromophenyl)naphthalen-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=CC=C2C(=C1)C(=CC=C2Br)N3C4=CC=CC5=C4C6=C(C=CC=C63)C=C5

DOS

IR

Vibrations