Geometry & MOs

Info

ID:	38209
PubChem CID:	8028013
Reduced:	ClNO5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	421.212732
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	3.01
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O[C@H](C)C(=O)NCCCO)C

DOS

IR

Vibrations