Geometry & MOs

Info

ID:	229535
PubChem CID:	87567965
Reduced:	PBr2F2O3H7C8 (1)
Stoich.:	AB2C2D3E7F8 (1)
Weight, g/mol:	435.040213
ΔH_f, kcal/mol:	-256.23
Dipole, Da:	2.47
IP(EA), eV:	-9.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[7-chloro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)imidazo[1,5-c]pyrimidin-8-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CBr)Br)OP(=O)(C(F)F)O

DOS

IR

Vibrations