Geometry & MOs

Info

ID:	205344
PubChem CID:	80090696
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	371.01101
ΔH_f, kcal/mol:	-43.75
Dipole, Da:	6.5
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-bromo-4-chlorophenyl)thiophen-2-yl]-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)NC1=CC(=C(C=C1)Cl)C#CCN

DOS

IR

Vibrations