Geometry & MOs

Info

ID:	154123
PubChem CID:	56313513
Reduced:	NOF2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	450.243104
ΔH_f, kcal/mol:	-244.77
Dipole, Da:	6.39
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)COCC(F)(F)F)CC3=CC=CC=C3F

DOS

IR

Vibrations