Geometry & MOs

Info

ID:	183561
PubChem CID:	77040781
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	245.156184
ΔH_f, kcal/mol:	-45.53
Dipole, Da:	6.14
IP(EA), eV:	-9.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methylpropylamino)methyl]-2-(methylsulfanylmethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2NC(CC(=O)N2)CNC3CC3

DOS

IR

Vibrations