Geometry & MOs

Info

ID:	421433
PubChem CID:	135116002
Reduced:	FN2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	336.190989
ΔH_f, kcal/mol:	-183.21
Dipole, Da:	2.59
IP(EA), eV:	-9.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CCC4(CC3)CCOCC4)C(=O)O)F

DOS

IR

Vibrations