Geometry & MOs

Info

ID:	307794
PubChem CID:	125309299
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	3.07
IP(EA), eV:	-8.38(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-7-methyl-5-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethoxy]chromen-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)C(=O)C2=C3C=CC=CC3=N[C@H]2C

DOS

IR

Vibrations