Geometry & MOs

Info

ID:	263538
PubChem CID:	103376533
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	354.87003
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	3.98
IP(EA), eV:	-9.35(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dibromothiophen-2-yl)-2-(3-hydroxypropoxy)acetonitrile

Drug info:

PubChemData

Smile

C1CC2CC3=CC=CC=C3CC1C2(C#N)OCCCO

DOS

IR

Vibrations