Geometry & MOs

Info

ID:	286950
PubChem CID:	104223617
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	23.39
Dipole, Da:	7.69
IP(EA), eV:	-9.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N(CC2=CSC=C2)C3=NC=C(C=N3)/C=C/C(=O)O

DOS

IR

Vibrations