Geometry & MOs

Info

ID:	187815
PubChem CID:	77629194
Reduced:	NO2F5H24C31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	648.121337
ΔH_f, kcal/mol:	-244.81
Dipole, Da:	5.63
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)F)CCC(C5=CC=C(C=C5)F)O

DOS

IR

Vibrations