Geometry & MOs

Info

ID:	262896
PubChem CID:	103327747
Reduced:	SN5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	305.167417
ΔH_f, kcal/mol:	31.97
Dipole, Da:	5.55
IP(EA), eV:	-8.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)NCCN(C)C3CCCC3

DOS

IR

Vibrations