Geometry & MOs

Info

ID:	88856
PubChem CID:	49957312
Reduced:	NOH10C13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	362.179442
ΔH_f, kcal/mol:	89.46
Dipole, Da:	6.74
IP(EA), eV:	-8.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1C=CC2C1C(NC3=C2C=CC=C3[N+](=O)[O-])C4=C5C=CC=CC5=CC6=CC=CC=C64

DOS

IR

Vibrations