Geometry & MOs

Info

ID:	191374
PubChem CID:	78138963
Reduced:	O5C25H26 (1)
Stoich.:	A5B25C26 (1)
Weight, g/mol:	479.230788
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	4.52
IP(EA), eV:	-8.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C=CC(=C2O1)C(=O)C=CC3=CC(=C(C=C3)OC)OCC=C)OC)C

DOS

IR

Vibrations