Geometry & MOs

Info

ID:	285511
PubChem CID:	104109951
Reduced:	BrClFNC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	246.095747
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	3.31
IP(EA), eV:	-9.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pentan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations