Geometry & MOs

Info

ID:	39817
PubChem CID:	8142476
Reduced:	NO2C29H35 (1)
Stoich.:	AB2C29D35 (1)
Weight, g/mol:	317.141579
ΔH_f, kcal/mol:	-47.14
Dipole, Da:	3.43
IP(EA), eV:	-8.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CN[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)O)C(=O)C(=C1)C(C)(C)C

DOS

IR

Vibrations