Geometry & MOs

Info

ID:	445223
PubChem CID:	135265139
Reduced:	ClNC16H26 (1)
Stoich.:	ABC16D26 (1)
Weight, g/mol:	261.014576
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	4.49
IP(EA), eV:	-9.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-2-methylpropanethioamide

Drug info:

PubChemData

Smile

CCCCCCC(C)(CC)CC1=CC(=NC=C1)Cl

DOS

IR

Vibrations