Geometry & MOs

Info

ID:	402616
PubChem CID:	135056589
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	307.091413
ΔH_f, kcal/mol:	-80.53
Dipole, Da:	5.78
IP(EA), eV:	-9.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclopenta-1,3-diene;(1R)-1-(3,4-dimethyl-1H-phosphol-2-yl)ethanol;iron(3+)

Drug info:

PubChemData

Smile

C[C@@]1(CCC(=O)N1)[C@@H](C2=CC=CC=C2)O

DOS

IR

Vibrations