Geometry & MOs

Info

ID:	337544
PubChem CID:	127258167
Reduced:	ClNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	427.081362
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	3.2
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[4-(trifluoromethoxy)phenoxy]thieno[2,3-d]pyrimidin-6-yl]carbamate

Drug info:

PubChemData

Smile

C1CNCC2=C1OC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations