Geometry & MOs

Info

ID:	360312
PubChem CID:	127300955
Reduced:	FN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-135.39
Dipole, Da:	2.81
IP(EA), eV:	-8.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations