Geometry & MOs

Info

ID:	290383
PubChem CID:	104440315
Reduced:	ClFON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	270.01162
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	6.0
IP(EA), eV:	-9.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(5-bromofuran-2-yl)triazol-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

C1CC2CN(CC2C(C1)N)C(=O)C3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations