Geometry & MOs

Info

ID:	285510
PubChem CID:	104109949
Reduced:	ClNSC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	307.01387
ΔH_f, kcal/mol:	-15.32
Dipole, Da:	4.98
IP(EA), eV:	-8.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-fluorophenyl)methyl]-4-chloropentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCC1CSC2=CC=CC=C12

DOS

IR

Vibrations