Geometry & MOs

Info

ID:	427656
PubChem CID:	135160995
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	363.150681
ΔH_f, kcal/mol:	64.23
Dipole, Da:	4.28
IP(EA), eV:	-8.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-amino-3-[5-fluoro-4-(2-hydroxyethylamino)pyrimidin-2-yl]-N-[(2-fluorophenyl)methyl]prop-2-enimidate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C3C=CC(=C)N(C3=N2)CC4CCC(=O)N4

DOS

IR

Vibrations