Geometry & MOs

Info

ID:	130092
PubChem CID:	51074913
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	3.67
Dipole, Da:	3.87
IP(EA), eV:	-9.16(-0.63)
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-propan-2-ylpiperidin-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC(=O)C2=C(C=CO2)C3=CC=CC=C3

DOS

IR

Vibrations