Geometry & MOs

Info

ID:	365290
PubChem CID:	127317652
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-13.67
Dipole, Da:	2.97
IP(EA), eV:	-8.71(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclobutylpyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CN2CCCCC2)N3C=NC=N3

DOS

IR

Vibrations