Geometry & MOs

Info

ID:	349359
PubChem CID:	127275146
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	3.91
IP(EA), eV:	-8.86(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N2CCCCCC2

DOS

IR

Vibrations