Geometry & MOs

Info

ID:	263000
PubChem CID:	103333255
Reduced:	SN5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	363.0041
ΔH_f, kcal/mol:	79.39
Dipole, Da:	5.81
IP(EA), eV:	-8.51(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromophenyl)methoxy]-N-ethylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1(CC1NC2=C3C=CSC3=NC(=N2)NN)C

DOS

IR

Vibrations