Geometry & MOs

Info

ID:	366852
PubChem CID:	127320540
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	5.87
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylazepan-1-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CC(=NC3=NNC(=C23)C)C

DOS

IR

Vibrations