Geometry & MOs

Info

ID:

32725

PubChem CID:

7847372

Reduced:

FNO2C15H17 (1)

Stoich.:

ABC2D15E17 (1)

Weight, g/mol:

224.120602

ΔHf, kcal/mol:

-74.5

Dipole, Da:

7.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.037615

Charge, e:

 1

Chem-info

IUPAC name:

(4-chlorophenyl)methyl-cyclohexylazanium

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)[C@H](C[NH2+]CC2=CC=C(C=C2)F)O

DOS

IR

Vibrations