Geometry & MOs

Info

ID:	175809
PubChem CID:	75950665
Reduced:	Cl2N3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	263.168543
ΔH_f, kcal/mol:	-88.34
Dipole, Da:	6.41
IP(EA), eV:	-8.43(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoroanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol

Drug info:

PubChemData

Smile

COC(C1=CC=C(C=C1)Cl)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)Cl

DOS

IR

Vibrations