Geometry & MOs

Info

ID:	306155
PubChem CID:	125001801
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	27.74
Dipole, Da:	5.97
IP(EA), eV:	-9.56(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5S,6S,8R,10S)-5-(4-methoxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N2CCC[C@@H](C2)CC3=CC=NN3

DOS

IR

Vibrations