Geometry & MOs

Info

ID:	180777
PubChem CID:	76683711
Reduced:	N4O5C24H36 (1)
Stoich.:	A4B5C24D36 (1)
Weight, g/mol:	282.153227
ΔH_f, kcal/mol:	-179.49
Dipole, Da:	4.39
IP(EA), eV:	-9.45(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-10-pyridin-3-yl-1,2,3,4,5,8,9,10-octahydrocyclopenta[i][3]benzazepine

Drug info:

PubChemData

Smile

CC1(CC1)OC(=O)N2CCC3(CC2)CC(C3)CCCOC4=NC=C(N=C4)C(=O)N(C)CCO

DOS

IR

Vibrations