Geometry & MOs

Info

ID:	84140
PubChem CID:	49864504
Reduced:	NSiO5C29H35 (1)
Stoich.:	ABC5D29E35 (1)
Weight, g/mol:	404.02594
ΔH_f, kcal/mol:	-195.61
Dipole, Da:	4.77
IP(EA), eV:	-8.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-6-methyl-3-(3,4,5-trimethoxyphenyl)chromen-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1OC(=O)C4=CC=CC=C4)C5=CC6=C(C=C5C3)OCO6

DOS

IR

Vibrations