Geometry & MOs

Info

ID:	262883
PubChem CID:	103326446
Reduced:	SN5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	306.187818
ΔH_f, kcal/mol:	86.14
Dipole, Da:	3.88
IP(EA), eV:	-8.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-(4-methylpentan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=C(SC2=N1)C)N(CCC#N)C3CC3

DOS

IR

Vibrations