Geometry & MOs

Info

ID:	240877
PubChem CID:	93617924
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-123.67
Dipole, Da:	5.9
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-2-oxoazepan-3-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OCC(=C2)C(=O)N[C@@H]3CCCCNC3=O

DOS

IR

Vibrations