Geometry & MOs

Info

ID:	286938
PubChem CID:	104223576
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	6.51
Dipole, Da:	7.22
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=NC=C1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations