Geometry & MOs

Info

ID:	333767
PubChem CID:	127252319
Reduced:	OF3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	5.36
IP(EA), eV:	-8.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-acetyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NN=C(C=C1)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations