Geometry & MOs

Info

ID:	286939
PubChem CID:	104223577
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	4.87
Dipole, Da:	7.12
IP(EA), eV:	-9.12(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=N1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations