Geometry & MOs

Info

ID:	195643
PubChem CID:	78714418
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	334.151529
ΔH_f, kcal/mol:	-47.21
Dipole, Da:	7.22
IP(EA), eV:	-9.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]amino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C)NC(=O)C(CC)C3=CC=CC=C3

DOS

IR

Vibrations