Geometry & MOs

Info

ID:	289815
PubChem CID:	104374992
Reduced:	N5C9H13 (1)
Stoich.:	A5B9C13 (1)
Weight, g/mol:	212.044191
ΔH_f, kcal/mol:	84.18
Dipole, Da:	1.06
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(thieno[3,2-b]thiophen-5-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC2=NNN=C2C=C1CNCCN

DOS

IR

Vibrations