Geometry & MOs

Info

ID:	286959
PubChem CID:	104223654
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	8.11
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCN(CCOC)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations