Geometry & MOs

Info

ID:	369869
PubChem CID:	127336528
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	366.12811
ΔH_f, kcal/mol:	-21.61
Dipole, Da:	4.85
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorothiophen-2-yl)-1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)N2CCN(CC2)CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations