Geometry & MOs

Info

ID:	249869
PubChem CID:	103092585
Reduced:	BrClNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	196.10342
ΔH_f, kcal/mol:	15.4
Dipole, Da:	4.19
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-propyl-4-(1,3-thiazol-2-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations