Geometry & MOs

Info

ID:	286960
PubChem CID:	104223658
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-89.84
Dipole, Da:	7.31
IP(EA), eV:	-9.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCC(CN1C2=NC=C(C=N2)/C=C/C(=O)O)C(=O)N

DOS

IR

Vibrations