Geometry & MOs

Info

ID:	24780
PubChem CID:	613377
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	58.75
Dipole, Da:	2.31
IP(EA), eV:	-8.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole

Drug info:

PubChemData

Smile

C1CNCC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4

DOS

IR

Vibrations