Geometry & MOs

Info

ID:	347225
PubChem CID:	127271766
Reduced:	ON4C19H32 (1)
Stoich.:	AB4C19D32 (1)
Weight, g/mol:	398.24819
ΔH_f, kcal/mol:	-42.39
Dipole, Da:	4.34
IP(EA), eV:	-8.65(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CN(N=C1C2CCCCC2)C)CN3CCCC3

DOS

IR

Vibrations