Geometry & MOs

Info

ID:	181707
PubChem CID:	76781865
Reduced:	N2C7H16 (1)
Stoich.:	A2B7C16 (1)
Weight, g/mol:	459.12642
ΔH_f, kcal/mol:	-3.24
Dipole, Da:	2.06
IP(EA), eV:	-8.44(2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy]-4-fluoroanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC1CC1N

DOS

IR

Vibrations