Geometry & MOs

Info

ID:	37769
PubChem CID:	8024210
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	2.78
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations