Geometry & MOs

Info

ID:	393832
PubChem CID:	135021800
Reduced:	N3C14H15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	125.95
Dipole, Da:	3.56
IP(EA), eV:	-9.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,4S,7aR)-7-cyclopropyl-2,2-dimethyl-5-oxo-4,7a-dihydro-3aH-1,3-benzodioxol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)C#CC2=CC=CC=C2)N=[N+]=[N-]

DOS

IR

Vibrations