Geometry & MOs

Info

ID:	161652
PubChem CID:	57392256
Reduced:	BrOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	2.86
IP(EA), eV:	-9.11(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-6-(cyclohexylamino)-4-pyrrolo[2,3-b]pyridin-3-ylidene-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C(=C1)Br)O)C2=C(C(=CC(=C2)CCCC)Br)O

DOS

IR

Vibrations