Geometry & MOs

Info

ID:	245805
PubChem CID:	103024009
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	3.49
IP(EA), eV:	-8.79(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)cyclobutyl]-4-(1-methylpyrazol-4-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)CCC1=CC=NN1C)N2CCNCC2

DOS

IR

Vibrations