Geometry & MOs

Info

ID:	280928
PubChem CID:	103851988
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	235.204848
ΔH_f, kcal/mol:	60.62
Dipole, Da:	3.59
IP(EA), eV:	-8.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,5-dimethylpyrazol-4-yl)-N-[(1-ethylcyclopentyl)methyl]methanamine

Drug info:

PubChemData

Smile

COCCN1C=C(C=N1)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations