Geometry & MOs

Info

ID:	439349
PubChem CID:	135229120
Reduced:	SN2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	5.8
Dipole, Da:	3.05
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropyl)-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCCSC1=NC=C(C=N1)C(C)(C)C

DOS

IR

Vibrations