Geometry & MOs

Info

ID:	262931
PubChem CID:	103329837
Reduced:	SN7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	304.172168
ΔH_f, kcal/mol:	94.34
Dipole, Da:	5.22
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethylpyrrolidin-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)N)NCCCN3C=CN=N3

DOS

IR

Vibrations