Geometry & MOs

Info

ID:	286931
PubChem CID:	104223562
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	8.46
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations