Geometry & MOs

Info

ID:	263004
PubChem CID:	103333342
Reduced:	S2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	348.98845
ΔH_f, kcal/mol:	78.31
Dipole, Da:	6.74
IP(EA), eV:	-8.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NN)NCC3=CC=C(S3)C

DOS

IR

Vibrations