Geometry & MOs

Info

ID:	240875
PubChem CID:	93617922
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	7.42
IP(EA), eV:	-9.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@@H](C1)NC(=O)CCC2=NC(=NO2)CC3=CC=CC=C3

DOS

IR

Vibrations