Geometry & MOs

Info

ID:	37887
PubChem CID:	8025330
Reduced:	N3O3C17H18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	281.09827
ΔH_f, kcal/mol:	53.74
Dipole, Da:	20.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.081003
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CN(CCCN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2

DOS

IR

Vibrations