Geometry & MOs

Info

ID:	397910
PubChem CID:	135030949
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	297.993027
ΔH_f, kcal/mol:	21.54
Dipole, Da:	3.61
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@H](C3C[C@@H]4CCN3CC4C=C)N

DOS

IR

Vibrations