Geometry & MOs

Info

ID:	350743
PubChem CID:	127279031
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	5.22
IP(EA), eV:	-9.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(=O)N2CCCC2(C)C)C#N

DOS

IR

Vibrations