Geometry & MOs

Info

ID:	417407
PubChem CID:	135093402
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	25.65
Dipole, Da:	3.34
IP(EA), eV:	-8.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C#N)CN2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations