Geometry & MOs

Info

ID:	332626
PubChem CID:	127250912
Reduced:	ON2C7H8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	396.171002
ΔH_f, kcal/mol:	-1.7
Dipole, Da:	6.74
IP(EA), eV:	-8.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations