Geometry & MOs

Info

ID:	372309
PubChem CID:	131296078
Reduced:	ClNF2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	259.018225
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	2.13
IP(EA), eV:	-9.58(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(chloromethyl)-5-methyl-2,3-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](C1=C(C=CC(=C1Cl)F)F)N

DOS

IR

Vibrations