Geometry & MOs

Info

ID:	200638
PubChem CID:	79419579
Reduced:	ClN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	257.009969
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	6.6
IP(EA), eV:	-9.31(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorothiophen-2-yl)methyl]-2-thiophen-3-ylethanamine

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)O)O

DOS

IR

Vibrations