Geometry & MOs

Info

ID:	286940
PubChem CID:	104223580
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	9.07
IP(EA), eV:	-8.95(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(3-ethylpiperidin-1-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCC(C)N(C)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations