Geometry & MOs

Info

ID:	170611
PubChem CID:	75258633
Reduced:	ClO3N4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	331.262363
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	5.16
IP(EA), eV:	-9.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[methyl(2-methylpropyl)amino]methyl]phenyl]-6-(2-methylpropyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCN(CC1=NC(=NO1)COC)C(=O)C(C2=CC=CC=C2Cl)N

DOS

IR

Vibrations