Geometry & MOs

Info

ID:	442063
PubChem CID:	135248926
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	125.120449
ΔH_f, kcal/mol:	-115.01
Dipole, Da:	7.85
IP(EA), eV:	-9.94(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2,3,4,5,8,9-hexahydro-1H-azonine

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CCC2[C@@]1(CCC3C2CCC(=O)[C@@]3(C)CCC#N)C)O

DOS

IR

Vibrations