Geometry & MOs

Info

ID:	254153
PubChem CID:	103123108
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	5.87
IP(EA), eV:	-9.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NCC2CCCC2CN

DOS

IR

Vibrations