Geometry & MOs

Info

ID:	52476
PubChem CID:	12015353
Reduced:	FeNOC18H19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	201.115364
ΔH_f, kcal/mol:	44.49
Dipole, Da:	5.12
IP(EA), eV:	-8.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-amino-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol

Drug info:

PubChemData

Smile

[CH-]1C=CC=C1.C1=CC=C(C=C1)[C@H]([C@@H]([C-]2C=CC=C2)N)O.[Fe+2]

DOS

IR

Vibrations