Geometry & MOs

Info

ID:	245806
PubChem CID:	103024011
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-8.91
Dipole, Da:	4.97
IP(EA), eV:	-9.26(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)cyclobutyl]-4-(2-methylpyrazol-3-yl)butan-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CC2(CCC2)CN

DOS

IR

Vibrations