Geometry & MOs

Info

ID:	15484
PubChem CID:	442486
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	5.19
IP(EA), eV:	-8.32(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,6R,9S)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC(=O)[C@@]34[C@@]2(CCCN(C3)CCC4)C(=O)C1

DOS

IR

Vibrations