Geometry & MOs

Info

ID:	213111
PubChem CID:	81062915
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	2.31
IP(EA), eV:	-8.47(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-ethoxyethyl(methyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC2=CC=CC=C2C=C1CN(C)CCOCC

DOS

IR

Vibrations