Geometry & MOs

Info

ID:	286948
PubChem CID:	104223612
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-88.26
Dipole, Da:	6.85
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1COC(CN1C2=NC=C(C=N2)/C=C/C(=O)O)C

DOS

IR

Vibrations