Geometry & MOs

Info

ID:	365289
PubChem CID:	127317651
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-6.33
Dipole, Da:	5.85
IP(EA), eV:	-9.22(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1CN2CCCC2)N3C=NC=N3

DOS

IR

Vibrations