Geometry & MOs

Info

ID:	240878
PubChem CID:	93617926
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-41.58
Dipole, Da:	8.56
IP(EA), eV:	-10.04(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@@H](C1)NC(=O)CCC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations