Geometry & MOs

Info

ID:	287603
PubChem CID:	104248360
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	254.174276
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	6.62
IP(EA), eV:	-9.12(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,4-diazepan-1-ylmethyl)-3-(2-methoxypropyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(C)NC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations