Geometry & MOs

Info

ID:	121723
PubChem CID:	50779093
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	5.57
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations