Geometry & MOs

Info

ID:	55623
PubChem CID:	17395687
Reduced:	ClOSN8H15C18 (1)
Stoich.:	ABCD8E15F18 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	119.52
Dipole, Da:	1.92
IP(EA), eV:	-9.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=CC=NC=C4

DOS

IR

Vibrations