Geometry & MOs

Info

ID:	160442
PubChem CID:	57309790
Reduced:	ClN3O4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	271.98705
ΔH_f, kcal/mol:	-56.4
Dipole, Da:	6.51
IP(EA), eV:	-9.53(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-2,3-dihydrochromen-6-yl) thiohypobromite

Drug info:

PubChemData

Smile

CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations