Geometry & MOs

Info

ID:	184329
PubChem CID:	77145899
Reduced:	N2O7C15H20 (1)
Stoich.:	A2B7C15D20 (1)
Weight, g/mol:	350.151809
ΔH_f, kcal/mol:	-261.29
Dipole, Da:	6.74
IP(EA), eV:	-9.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=CC2=CN(C(=O)N=C2O1)C3C(C(C(C(O3)CO)O)O)O

DOS

IR

Vibrations