Geometry & MOs

Info

ID:	220615
PubChem CID:	85198037
Reduced:	N2O5C17H28 (1)
Stoich.:	A2B5C17D28 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-270.37
Dipole, Da:	6.29
IP(EA), eV:	-9.68(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCC2N1C(=O)C(C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations