Geometry & MOs

Info

ID:	273956
PubChem CID:	103806085
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	4.24
Dipole, Da:	4.36
IP(EA), eV:	-9.5(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminocyclohexyl)-1,3-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1N)NC(=O)C2=NC3=CC=CC=C3N=C2

DOS

IR

Vibrations