Geometry & MOs

Info

ID:	360887
PubChem CID:	127301584
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	5.55
IP(EA), eV:	-9.29(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-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)C(C)OCC3CCCO3

DOS

IR

Vibrations