Geometry & MOs

Info

ID:	394229
PubChem CID:	135022564
Reduced:	NPO6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	401.154466
ΔH_f, kcal/mol:	-311.83
Dipole, Da:	3.23
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(diphenylphosphorylmethyl)-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

Drug info:

PubChemData

Smile

CCOP(=O)(C[C@@]1(C2=CC=CC=C2N(C1=O)C)COC(=O)C)OCC

DOS

IR

Vibrations