Geometry & MOs

Info

ID:	42344
PubChem CID:	8149457
Reduced:	NCl2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	353.073805
ΔH_f, kcal/mol:	71.58
Dipole, Da:	3.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996689
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-9H-fluoren-9-amine

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)[NH2+]C2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations