Geometry & MOs

Info

ID:	364652
PubChem CID:	127315947
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	4.3
IP(EA), eV:	-8.75(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopentylmethyl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)C2=CN(N=C2C)C

DOS

IR

Vibrations