Geometry & MOs

Info

ID:	242610
PubChem CID:	97857582
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-146.31
Dipole, Da:	3.88
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-2-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

Drug info:

PubChemData

Smile

C1C[C@H]2C(=O)N(C(=O)N2C1)CC3=CC(=NC=C3)OC4CCOCC4

DOS

IR

Vibrations