Geometry & MOs

Info

ID:	447088
PubChem CID:	135280184
Reduced:	BrNC33H36 (1)
Stoich.:	ABC33D36 (1)
Weight, g/mol:	498.07316
ΔH_f, kcal/mol:	38.07
Dipole, Da:	2.86
IP(EA), eV:	-8.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(8-bromonaphthalen-1-yl)-15-phenyl-3,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C(C)(C)C)N(C3=C1C=C(C=C3Br)C(C)(C)C)C4=CC=CC5=CC=CC=C54)C

DOS

IR

Vibrations