Geometry & MOs

Info

ID:	262822
PubChem CID:	103320975
Reduced:	ClOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	305.038961
ΔH_f, kcal/mol:	25.14
Dipole, Da:	6.14
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(methoxymethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)Cl)NCCC3=CC=CO3

DOS

IR

Vibrations