Geometry & MOs

Info

ID:	145772
PubChem CID:	53590855
Reduced:	FON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	6.87
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CC=C1F)C(=O)CC2=CN=CC=C2

DOS

IR

Vibrations