Geometry & MOs

Info

ID:	15486
PubChem CID:	442488
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	61.08
Dipole, Da:	5.84
IP(EA), eV:	-9.02(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,10S,13R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4

DOS

IR

Vibrations