Geometry & MOs

Info

ID:	394157
PubChem CID:	135022434
Reduced:	NOYH9C13 (1)
Stoich.:	ABCD9E13 (1)
Weight, g/mol:	418.217551
ΔH_f, kcal/mol:	83.25
Dipole, Da:	3.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.908896
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-dimethyl-[(5,9,10-trimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl)oxy]silane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N-]C(=O)C2=CC=CC=[C-]2.[Y]

DOS

IR

Vibrations