Geometry & MOs

Info

ID:	286930
PubChem CID:	104223558
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-50.68
Dipole, Da:	8.75
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=NC=C(C=N1)/C=C/C(=O)O)C(C)C

DOS

IR

Vibrations