Geometry & MOs

Info

ID:	381735
PubChem CID:	134972553
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	288.01498
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	3.86
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1R)-1-(2-bromophenyl)-3-phenylprop-2-en-1-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)ON1C2=CC=CC=C2N=C1C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations