Geometry & MOs

Info

ID:	48852
PubChem CID:	11528399
Reduced:	NCl2H5C6 (1)
Stoich.:	AB2C5D6 (1)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	13.14
Dipole, Da:	2.55
IP(EA), eV:	-10.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,7bR)-6-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Cl)CCl

DOS

IR

Vibrations