Geometry & MOs

Info

ID:	349344
PubChem CID:	127275131
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	7.19
IP(EA), eV:	-9.09(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations