Geometry & MOs

Info

ID:	200081
PubChem CID:	79343979
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	321.095413
ΔH_f, kcal/mol:	16.91
Dipole, Da:	3.53
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine

Drug info:

PubChemData

Smile

C1CC1CN(CC2CC2)C3=C(C=C4C(C(=O)NC4=C3)N)Br

DOS

IR

Vibrations