Geometry & MOs

Info

ID:	260488
PubChem CID:	103193574
Reduced:	BrNOF3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	309.99286
ΔH_f, kcal/mol:	-161.7
Dipole, Da:	2.72
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-bromo-2-(trifluoromethoxy)phenyl]propanimidamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(C=C(C=C2)Br)OC(F)(F)F)C

DOS

IR

Vibrations