Geometry & MOs

Info

ID:	249815
PubChem CID:	103092273
Reduced:	BrClNC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	254.04186
ΔH_f, kcal/mol:	20.66
Dipole, Da:	3.72
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-bromopyridin-3-yl)-N-ethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations