Geometry & MOs

Info

ID:	183921
PubChem CID:	77090386
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	19.27
Dipole, Da:	5.32
IP(EA), eV:	-9.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2=CN=CC=C2)C3=NC=NC=C3

DOS

IR

Vibrations