Geometry & MOs

Info

ID:	140307
PubChem CID:	52679048
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	279.182101
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	7.41
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-4-ium-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)CCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations