Geometry & MOs

Info

ID:	395377
PubChem CID:	135025324
Reduced:	PO6C17H27 (1)
Stoich.:	AB6C17D27 (1)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	-299.96
Dipole, Da:	2.14
IP(EA), eV:	-9.12(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,12R,13S)-5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-trien-17-one

Drug info:

PubChemData

Smile

CCOC(OCC)P(=O)([C@](CC(=O)C)(C1=CC=CC=C1)O)OCC

DOS

IR

Vibrations