Geometry & MOs

Info

ID:	362733
PubChem CID:	127309278
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	392.253589
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	2.04
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NCC3=NC(=CC=C3)OC

DOS

IR

Vibrations