Geometry & MOs

Info

ID:

296785

PubChem CID:

117592664

Reduced:

ClNO12C30H40 (1)

Stoich.:

ABC12D30E40 (1)

Weight, g/mol:

767.217432

ΔHf, kcal/mol:

-523.31

Dipole, Da:

5.11

IP(EA), eV:

 -8.66(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one;2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)C)O)O.CC1(OC2C(C(OC2O1)C(CO)O)OCCCN(C)C)C.Cl

DOS

IR

Vibrations