Geometry & MOs

Info

ID:	342647
PubChem CID:	127265807
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-37.83
Dipole, Da:	0.84
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)prop-2-enyl-methylamino]ethanol

Drug info:

PubChemData

Smile

C1CO[C@@H]([C@H]1C(=O)NNC(=O)CC2=CNC3=C2C=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations