Geometry & MOs

Info

ID:	249818
PubChem CID:	103092289
Reduced:	BrNSC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	335.03433
ΔH_f, kcal/mol:	52.14
Dipole, Da:	1.74
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-(3-bromophenyl)thiophen-2-yl]-N-ethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC=C(S1)C2=CC=CC=C2Br

DOS

IR

Vibrations