Geometry & MOs

Info

ID:	15474
PubChem CID:	442466
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	4.48
IP(EA), eV:	-8.61(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10S,11R,13R,15R)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-14-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]23[C@@H]4CCCN2CCC=C3[C@H](C1=O)C[C@H]4O

DOS

IR

Vibrations