Geometry & MOs

Info

ID:	15488
PubChem CID:	442499
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-197.58
Dipole, Da:	3.7
IP(EA), eV:	-8.94(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R,6R,8S,9S)-5,6,8-trihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one

Drug info:

PubChemData

Smile

C[C@]1(C[C@@H]([C@]23CCCN4[C@@]2(CCC4)C(=O)C[C@@H]3[C@H]1O)O)O

DOS

IR

Vibrations