Geometry & MOs

Info

ID:	202079
PubChem CID:	79625670
Reduced:	N3C17H29 (1)
Stoich.:	A3B17C29 (1)
Weight, g/mol:	332.036182
ΔH_f, kcal/mol:	17.81
Dipole, Da:	5.16
IP(EA), eV:	-8.53(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-chloro-3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)C1CCCN1C2CCCC(C2)(C#N)NC3CC3

DOS

IR

Vibrations