Geometry & MOs

Info

ID:	425247
PubChem CID:	135125642
Reduced:	BrON3F4H14C19 (1)
Stoich.:	ABC3D4E14F19 (1)
Weight, g/mol:	383.10929
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	4.62
IP(EA), eV:	-9.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-N'-hydroxycarbamimidoyl]-N-[[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]1OC(=N[C@@]2(C3=C(C=CC(=C3)/C=C(/C4=NC=C(C=C4)Br)\F)F)C(F)F)N

DOS

IR

Vibrations