Geometry & MOs

Info

ID:	229518
PubChem CID:	87567916
Reduced:	Cl2O3N4H14C16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	425.0567
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	4.6
IP(EA), eV:	-10.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)Cl)C2=NN=C(O2)C.CC1=C(C=CC(=N1)Cl)C(=O)O

DOS

IR

Vibrations