Geometry & MOs

Info

ID:	14529
PubChem CID:	413672
Reduced:	ClN2O2C24H31 (1)
Stoich.:	AB2C2D24E31 (1)
Weight, g/mol:	414.207406
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	2.9
IP(EA), eV:	-8.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[2-(dibutylamino)ethylamino]-6-methylxanthen-9-one

Drug info:

PubChemData

Smile

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)Cl)OC3=C(C2=O)C=CC(=C3)C

DOS

IR

Vibrations