Geometry & MOs

Info

ID:	21633
PubChem CID:	589356
Reduced:	NC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	270.209599
ΔH_f, kcal/mol:	-4.12
Dipole, Da:	3.29
IP(EA), eV:	-8.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[5,6a,7,8,9,10,10a,11-octahydrobenzo[b][1,4]benzodiazepine-6,1'-cyclohexane]

Drug info:

PubChemData

Smile

C1CCC2(CC1)C3CCCCC3NC4=CC=CC=C4N2

DOS

IR

Vibrations