Geometry & MOs

Info

ID:	51036
PubChem CID:	12013651
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	4.34
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(piperidin-1-ylmethyl)-2,3-dihydrothiochromen-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(C2)CN3CCCCC3

DOS

IR

Vibrations