Geometry & MOs

Info

ID:	53349
PubChem CID:	14710562
Reduced:	NPSC30H34 (1)
Stoich.:	ABCD30E34 (1)
Weight, g/mol:	345.07283
ΔH_f, kcal/mol:	79.71
Dipole, Da:	1.26
IP(EA), eV:	-8.44(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(1R)-1-(4-bromophenyl)but-3-enyl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

C[C@H]([C]1C[CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)S[C@H](C4=CC=CC=C4)[C@@H](C)N(C)C

DOS

IR

Vibrations