Geometry & MOs

Info

ID:	262911
PubChem CID:	103329169
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	280.135782
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	2.63
IP(EA), eV:	-8.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N-dimethyl-4-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=C(SC2=N1)C)NC3CC4CCC3O4

DOS

IR

Vibrations