Geometry & MOs

Info

ID:	82349
PubChem CID:	49855922
Reduced:	NSiO6C27H41 (1)
Stoich.:	ABC6D27E41 (1)
Weight, g/mol:	451.94457
ΔH_f, kcal/mol:	-279.34
Dipole, Da:	5.51
IP(EA), eV:	-9.01(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dibromo-4-methoxy-6-methyl-8-phenylmethoxynaphthalen-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=CC=C(O2)[Si](C)(C)CCO)N(C)C(=O)OC(C)(C)C)OCC3=CC=CC=C3

DOS

IR

Vibrations