Geometry & MOs

Info

ID:	368277
PubChem CID:	127327854
Reduced:	FO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-110.57
Dipole, Da:	3.55
IP(EA), eV:	-9.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations