Geometry & MOs

Info

ID:	184526
PubChem CID:	77172922
Reduced:	ClO4N5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-84.85
Dipole, Da:	9.07
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3,4,5a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]chromen-10-one

Drug info:

PubChemData

Smile

C1CNCCC1OC2CCN(C2)C3=NC(=O)C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)Cl

DOS

IR

Vibrations