Geometry & MOs

Info

ID:	286969
PubChem CID:	104223693
Reduced:	FO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	7.62
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(N,2,4-trimethylanilino)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(C1=CC(=CC=C1)F)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations