Geometry & MOs

Info

ID:	261048
PubChem CID:	103215560
Reduced:	BrClIN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	238.104146
ΔH_f, kcal/mol:	56.73
Dipole, Da:	2.23
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(C2=CC(=C(C=C2)I)Cl)N)C

DOS

IR

Vibrations