Geometry & MOs

Info

ID:	271464
PubChem CID:	103680188
Reduced:	ClNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	262.99795
ΔH_f, kcal/mol:	55.05
Dipole, Da:	4.89
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)methyl]-1-methylsulfanylpropan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNCC#CC2=CC=CC=C2

DOS

IR

Vibrations