Geometry & MOs

Info

ID:	407237
PubChem CID:	135079629
Reduced:	BF2N2O2C19H25 (1)
Stoich.:	AB2C2D2E19F25 (1)
Weight, g/mol:	361.189889
ΔH_f, kcal/mol:	-305.23
Dipole, Da:	7.84
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2Z)-2-[6-(3,4-diethyl-1H-pyrrol-2-yl)-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]-3,4-diethylpyrrole

Drug info:

PubChemData

Smile

[B-]1(OC(=C/C(=C/2\C(=C(C=[NH+]2)CC)CC)/O1)C3=C(C(=CN3)CC)CC)(F)F

DOS

IR

Vibrations