Geometry & MOs

Info

ID:	262869
PubChem CID:	103324517
Reduced:	OSN5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	262.125218
ΔH_f, kcal/mol:	-0.81
Dipole, Da:	2.16
IP(EA), eV:	-8.31(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-4-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)NCCCN3CCOCC3

DOS

IR

Vibrations