Geometry & MOs

Info

ID:	286941
PubChem CID:	104223581
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	287.107005
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	8.43
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(2-fluorophenyl)methyl-methylamino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations