Geometry & MOs

Info

ID:	413138
PubChem CID:	135086082
Reduced:	SC18H28 (1)
Stoich.:	AB18C28 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-17.42
Dipole, Da:	1.83
IP(EA), eV:	-8.25(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4-methoxyphenyl)methylidene]-N-(2-methylpropyl)pentanamide

Drug info:

PubChemData

Smile

CCCCCCSC#CC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations