Geometry & MOs

Info

ID:	285487
PubChem CID:	104109873
Reduced:	NCl3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	232.080097
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	3.36
IP(EA), eV:	-9.36(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations