Geometry & MOs

Info

ID:	197115
PubChem CID:	78924379
Reduced:	ClN3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	291.048463
ΔH_f, kcal/mol:	30.32
Dipole, Da:	3.01
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-phenylethoxy)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C2=C(C=CC(=C2)Cl)C(=N)N

DOS

IR

Vibrations