Geometry & MOs

Info

ID:	1289
PubChem CID:	4098
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	62.18
Dipole, Da:	1.14
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2

DOS

IR

Vibrations