Geometry & MOs

Info

ID:	286937
PubChem CID:	104223574
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	5.97
IP(EA), eV:	-9.15(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC1CN(CCO1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations