Geometry & MOs

Info

ID:	306831
PubChem CID:	125258699
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	3.96
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,4S,8bR)-8-fluoro-2-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[2,3-c]pyrrol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H]2CCN(C[C@H]2C[C@H]1CN3C=CC=N3)C(=O)C4=CC=NO4

DOS

IR

Vibrations