Geometry & MOs

Info

ID:	184839
PubChem CID:	77217788
Reduced:	N2O3C20H22 (2)
Stoich.:	A2B3C20D22 (2)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	-186.73
Dipole, Da:	4.73
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pentyl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)CC2(CCC(N2C(=O)O)C(C3=CN=CC=C3)O)C(C)(C)C)N(C)C(=O)OC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations