Geometry & MOs

Info

ID:	285493
PubChem CID:	104109897
Reduced:	ClNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	218.064447
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	2.8
IP(EA), eV:	-9.04(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations