Geometry & MOs

Info

ID:	434391
PubChem CID:	135174824
Reduced:	BrON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	59.91
Dipole, Da:	1.63
IP(EA), eV:	-9.13(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(2,2-dimethylpropoxy)propoxy]prop-1-ynyl]-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CC=C2)OCC3=C(C=C(C=C3)C#N)Br

DOS

IR

Vibrations