Geometry & MOs

Info

ID:	22922
PubChem CID:	599921
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-95.94
Dipole, Da:	3.38
IP(EA), eV:	-8.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[(4-methylpiperidin-1-yl)methyl]chromen-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=C(OC3=CC=CC=C3C2=O)O

DOS

IR

Vibrations