Geometry & MOs

Info

ID:	436738
PubChem CID:	135208849
Reduced:	O6C11H20 (1)
Stoich.:	A6B11C20 (1)
Weight, g/mol:	636.12011
ΔH_f, kcal/mol:	-278.02
Dipole, Da:	8.56
IP(EA), eV:	-10.3(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromophenyl)-15-(9-phenylcarbazol-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

Drug info:

PubChemData

Smile

CC(CCCC(=O)O)COCCOCC(=O)O

DOS

IR

Vibrations