Geometry & MOs

Info

ID:	249834
PubChem CID:	103092355
Reduced:	BrNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	196.10342
ΔH_f, kcal/mol:	16.6
Dipole, Da:	2.28
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=C(C=C(C=C1)C)Br

DOS

IR

Vibrations