Geometry & MOs

Info

ID:	255749
PubChem CID:	103134480
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	291.08639
ΔH_f, kcal/mol:	-105.75
Dipole, Da:	4.85
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)Cl)C=O

DOS

IR

Vibrations