Geometry & MOs

Info

ID:	286964
PubChem CID:	104223678
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-89.35
Dipole, Da:	4.07
IP(EA), eV:	-9.31(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations