Geometry & MOs

Info

ID:	173065
PubChem CID:	75592173
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	4.24
IP(EA), eV:	-9.94(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-propan-2-yl-6-[3-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2=NNC(=N2)C3CC3)O

DOS

IR

Vibrations