Geometry & MOs

Info

ID:	446300
PubChem CID:	135273883
Reduced:	ON3C13H16 (2)
Stoich.:	AB3C13D16 (2)
Weight, g/mol:	487.162247
ΔH_f, kcal/mol:	39.64
Dipole, Da:	3.54
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[4-chloro-2-methanimidoyl-5-[(3R)-oxolan-3-yl]oxyanilino]-2-methoxypyrimidin-4-yl]-2-azabicyclo[2.2.1]heptane-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4COC4)N(N=C2)C5=CC(=NC(=N5)C)N6CC7CC(C6)O7

DOS

IR

Vibrations