Geometry & MOs

Info

ID:	201588
PubChem CID:	79560121
Reduced:	FN2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	2.78
IP(EA), eV:	-8.2(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(C)CC2CCCCCN2)F

DOS

IR

Vibrations