Geometry & MOs

Info

ID:	365166
PubChem CID:	127316970
Reduced:	FN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-196.14
Dipole, Da:	1.86
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(=O)N(C2=O)CC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations