Geometry & MOs

Info

ID:	390986
PubChem CID:	135002057
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	301.240565
ΔH_f, kcal/mol:	-134.52
Dipole, Da:	1.1
IP(EA), eV:	-9.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)-3H-2-benzofuran-1-imine

Drug info:

PubChemData

Smile

CC(C)OC(=O)O[C@@H]1C[C@H](C=C1)[C@@H](/C=C/C2=CC=CC=C2)O

DOS

IR

Vibrations