Geometry & MOs

Info

ID:	6473
PubChem CID:	68709
Reduced:	FN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	362.200571
ΔH_f, kcal/mol:	-175.17
Dipole, Da:	4.48
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CCN2CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N

DOS

IR

Vibrations