Geometry & MOs

Info

ID:	286934
PubChem CID:	104223569
Reduced:	O3N4C10H12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	275.072848
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	3.96
IP(EA), eV:	-9.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations