Geometry & MOs

Info

ID:	404668
PubChem CID:	135068968
Reduced:	NPO4C27H34 (1)
Stoich.:	ABC4D27E34 (1)
Weight, g/mol:	385.144295
ΔH_f, kcal/mol:	-190.9
Dipole, Da:	3.33
IP(EA), eV:	-9.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,5R)-3-diphenoxyphosphoryl-5-methyl-3-azabicyclo[3.1.0]hexan-1-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@]12C[C@@]1(CN(C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)CC(=O)C5CCCC5

DOS

IR

Vibrations