Geometry & MOs

Info

ID:	421167
PubChem CID:	135115496
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	22.51
Dipole, Da:	2.0
IP(EA), eV:	-9.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thiophen-2-yl-[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(S1)CN2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations