Geometry & MOs

Info

ID:	229462
PubChem CID:	87567721
Reduced:	BrPF2O4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-317.64
Dipole, Da:	2.34
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-4-amino-3-[5-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=CC(=C1)OC)Br)(F)F)OCC

DOS

IR

Vibrations