Geometry & MOs

Info

ID:	42413
PubChem CID:	8149528
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	2.58
IP(EA), eV:	-9.17(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-[(4-piperidin-1-ylanilino)methyl]chromen-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1[C@H]2CS(=O)(=O)C[C@@H]2O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations