Geometry & MOs

Info

ID:	31596
PubChem CID:	855916
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	2.92
IP(EA), eV:	-8.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C(C2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations