Geometry & MOs

Info

ID:	286925
PubChem CID:	104223545
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	7.87
IP(EA), eV:	-8.83(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations