Geometry & MOs

Info

ID:	186647
PubChem CID:	77461150
Reduced:	ON4H28C30 (1)
Stoich.:	AB4C28D30 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	96.51
Dipole, Da:	1.16
IP(EA), eV:	-8.66(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C=C(N=N4)C#CC5=CC6=CC=CC=C6C7=CC=CC=C75

DOS

IR

Vibrations