Geometry & MOs

Info

ID:	286955
PubChem CID:	104223640
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	7.68
IP(EA), eV:	-9.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CS1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations