Geometry & MOs

Info

ID:	242617
PubChem CID:	97857591
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	3.23
IP(EA), eV:	-9.23(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(7aS)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]ethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C[C@]12CCCN1C(=O)N(C2=O)C[C@@H]3C[C@@H]3C4=CC=CC=C4

DOS

IR

Vibrations