Geometry & MOs

Info

ID:	151177
PubChem CID:	53790877
Reduced:	NO5C37H39 (1)
Stoich.:	AB5C37D39 (1)
Weight, g/mol:	381.93909
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	4.21
IP(EA), eV:	-7.91(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,4-dibromophenyl)phenyl]but-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C(C)(C)C2=C(C(=C(C(=C2C)C)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N)C)C)C)C)O)C

DOS

IR

Vibrations