Geometry & MOs

Info

ID:	199993
PubChem CID:	79329430
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	291.084849
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	1.18
IP(EA), eV:	-8.08(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)thiophen-2-yl]methylidene]-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=C(CC)CNCC)OC

DOS

IR

Vibrations