Geometry & MOs

Info

ID:	77438
PubChem CID:	48431495
Reduced:	Cl2N2O2C17H22 (1)
Stoich.:	A2B2C2D17E22 (1)
Weight, g/mol:	350.195405
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	3.34
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[1-(2-methoxyethyl)piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)NC(=O)/C=C/C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations