Geometry & MOs

Info

ID:	285551
PubChem CID:	104111633
Reduced:	SN4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	236.109568
ΔH_f, kcal/mol:	20.61
Dipole, Da:	4.1
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-thieno[3,2-d]pyrimidin-4-ylpentane-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=CN=C2S1)NC(C)CC(C)N

DOS

IR

Vibrations