Geometry & MOs

Info

ID:	249655
PubChem CID:	103091167
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	322.0027
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	4.5
IP(EA), eV:	-7.76(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-(4-bromophenyl)thiophen-2-yl]-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(O1)N2CCCCC2)/C)O

DOS

IR

Vibrations