Geometry & MOs

Info

ID:	328175
PubChem CID:	126693020
Reduced:	PN5O8C27H38 (1)
Stoich.:	AB5C8D27E38 (1)
Weight, g/mol:	237.15896
ΔH_f, kcal/mol:	-340.31
Dipole, Da:	4.48
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-[1-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]ethane-1,1-diamine

Drug info:

PubChemData

Smile

CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4

DOS

IR

Vibrations