Geometry & MOs

Info

ID:	347571
PubChem CID:	127272426
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	4.58
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCCCC2C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations