Geometry & MOs

Info

ID:	314428
PubChem CID:	126621793
Reduced:	NH15C21 (2)
Stoich.:	AB15C21 (2)
Weight, g/mol:	295.98368
ΔH_f, kcal/mol:	156.87
Dipole, Da:	1.77
IP(EA), eV:	-7.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromonaphtho[2,1-b][1]benzofuran

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=C(C=C2C=C1)C4=C(N3)C=CC(=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C9C

DOS

IR

Vibrations