Geometry & MOs

Info

ID:	397720
PubChem CID:	135030616
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	297.993027
ΔH_f, kcal/mol:	-145.74
Dipole, Da:	4.14
IP(EA), eV:	-9.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,3aS,5R,7aS,7bR)-7a-methyl-5-(trichloromethyl)-2,3,3a,4,5,7b-hexahydro-1aH-oxireno[2,3-h]isochromen-7-one

Drug info:

PubChemData

Smile

CCC[C@@H](C1=C(C(=CC(=N1)C(=O)OC)C)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations