Geometry & MOs

Info

ID:	397045
PubChem CID:	135029643
Reduced:	NO7C23H37 (1)
Stoich.:	AB7C23D37 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-363.94
Dipole, Da:	7.25
IP(EA), eV:	-9.54(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,8R,11R)-10-ethyl-7-hydroxy-8-(hydroxymethyl)-10-azatetracyclo[6.3.2.04,11.04,13]tridecane-2,9-dione

Drug info:

PubChemData

Smile

CCN(C[C@@]12CCC(=O)[C@@H](C1CCC3(C2)OCCO3)C(=O)OCC)C(=O)OC(C)(C)C

DOS

IR

Vibrations