Geometry & MOs

Info

ID:	46608
PubChem CID:	10525531
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	408.187149
ΔH_f, kcal/mol:	-52.18
Dipole, Da:	4.72
IP(EA), eV:	-9.24(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(diethylamino)ethylamino]-3,3-dimethylthiochromeno[2,3-f]chromen-7-one

Drug info:

PubChemData

Smile

COC(C/C=C\CCN(CC1=CC=CC=C1)C(=O)C2CN2CC3=CC=CC=C3)OC

DOS

IR

Vibrations