Geometry & MOs

Info

ID:	196707
PubChem CID:	78867354
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	362.150954
ΔH_f, kcal/mol:	22.21
Dipole, Da:	2.32
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)C(=O)N3CCCN(CC3)C)C

DOS

IR

Vibrations