Geometry & MOs

Info

ID:	249817
PubChem CID:	103092277
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	335.03433
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	7.09
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=C(C(=C1)Cl)OCC(=O)N)OC

DOS

IR

Vibrations