Geometry & MOs

Info

ID:	390129
PubChem CID:	134997246
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	408.10486
ΔH_f, kcal/mol:	-58.0
Dipole, Da:	3.18
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,6aS)-3-(4-bromophenyl)-N-(2,2-dimethylpropanoyl)-2-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[d][1,2]oxazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H](CC=C)/[N+](=C/C2=CC=CC=C2)/[O-])C

DOS

IR

Vibrations