Geometry & MOs

Info

ID:	31597
PubChem CID:	855917
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	8.88
IP(EA), eV:	-8.33(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-4-[[(1R,2R)-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