Geometry & MOs

Info

ID:	73617
PubChem CID:	48419513
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	327.09462
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	4.86
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-cyclohexylethyl)-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)C3=CC4=CC=CC=C4C(=N3)OC

DOS

IR

Vibrations