Geometry & MOs

Info

ID:	28305
PubChem CID:	826942
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	335.082744
ΔH_f, kcal/mol:	44.16
Dipole, Da:	4.31
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethoxy-3-(morpholine-4-carbonyl)isothiochromen-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations