Geometry & MOs

Info

ID:	229379
PubChem CID:	87567505
Reduced:	IPF2O3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	454.08325
ΔH_f, kcal/mol:	-248.41
Dipole, Da:	5.31
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OP(=O)(C(F)F)O)I

DOS

IR

Vibrations