Geometry & MOs

Info

ID:	285514
PubChem CID:	104109954
Reduced:	ClNOF3C13H17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	307.01387
ΔH_f, kcal/mol:	-218.42
Dipole, Da:	4.08
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations