Geometry & MOs

Info

ID:	191372
PubChem CID:	78138961
Reduced:	O5C27H32 (1)
Stoich.:	A5B27C32 (1)
Weight, g/mol:	404.162374
ΔH_f, kcal/mol:	-182.82
Dipole, Da:	5.04
IP(EA), eV:	-8.2(-0.42)
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-prop-2-ynoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(CCC2=CC(=C3C(=C2O1)CCC(O3)(C)C)C(=O)C=CC4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations