Geometry & MOs

Info

ID:	395568
PubChem CID:	135025864
Reduced:	IN3H8C9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	330.165121
ΔH_f, kcal/mol:	105.14
Dipole, Da:	4.86
IP(EA), eV:	-9.9(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=CN=N2)I

DOS

IR

Vibrations