Geometry & MOs

Info

ID:	360886
PubChem CID:	127301583
Reduced:	O2N7C19H23 (1)
Stoich.:	A2B7C19D23 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	16.27
Dipole, Da:	5.96
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-ylmethoxy)-1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations