Geometry & MOs

Info

ID:	257701
PubChem CID:	103148130
Reduced:	BrOF3N3C12H19 (1)
Stoich.:	ABC3D3E12F19 (1)
Weight, g/mol:	301.140197
ΔH_f, kcal/mol:	-191.22
Dipole, Da:	4.0
IP(EA), eV:	-7.93(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylbenzimidazol-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(CCOCC(F)(F)F)N)C

DOS

IR

Vibrations