Geometry & MOs

Info

ID:	368822
PubChem CID:	127330555
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	-53.07
Dipole, Da:	7.36
IP(EA), eV:	-8.79(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)C3=CC=C(C=C3)OC4CCCCC4

DOS

IR

Vibrations