Geometry & MOs

Info

ID:	31599
PubChem CID:	855919
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	8.63
IP(EA), eV:	-8.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-4-[[(1R,2S)-2-methylcyclohexyl]amino]chromen-2-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)N[C@H]3CCCC[C@@H]3C

DOS

IR

Vibrations