Geometry & MOs

Info

ID:	334191
PubChem CID:	127252743
Reduced:	N2O6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-218.82
Dipole, Da:	7.14
IP(EA), eV:	-8.97(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4CCCO4

DOS

IR

Vibrations