Geometry & MOs

Info

ID:	285515
PubChem CID:	104109958
Reduced:	BrClFNC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	233.191028
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	2.9
IP(EA), eV:	-9.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentan-2-yl)-2-ethylhexan-1-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations