Geometry & MOs

Info

ID:	423955
PubChem CID:	135120862
Reduced:	ClN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	304.133554
ΔH_f, kcal/mol:	-89.1
Dipole, Da:	3.36
IP(EA), eV:	-9.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)C3=NC=C(C=N3)Cl

DOS

IR

Vibrations