Geometry & MOs

Info

ID:	249759
PubChem CID:	103091915
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	60.54
Dipole, Da:	1.24
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=NC2=CC=CC=C2N=C1)/C)N

DOS

IR

Vibrations