Geometry & MOs

Info

ID:	349319
PubChem CID:	127275106
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	4.22
IP(EA), eV:	-8.81(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NC(C2CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations