Geometry & MOs

Info

ID:	39818
PubChem CID:	8142478
Reduced:	NO2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	317.141579
ΔH_f, kcal/mol:	5.73
Dipole, Da:	7.67
IP(EA), eV:	-8.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[(1R,2R)-2-hydroxy-1,2-diphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]([C@@H](C2=CC=CC=C2)O)NC=C3C=CC=CC3=O

DOS

IR

Vibrations