Geometry & MOs

Info

ID:	286935
PubChem CID:	104223571
Reduced:	SO2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	3.05
Dipole, Da:	7.37
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[cyclopentyl(ethyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations