Geometry & MOs

Info

ID:	366877
PubChem CID:	127321779
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	8.7
Dipole, Da:	5.13
IP(EA), eV:	-9.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylazepan-1-yl)-2-oxoethyl]-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CC3=C(NN=C3N=C2)C

DOS

IR

Vibrations