Geometry & MOs

Info

ID:

393144

PubChem CID:

135019538

Reduced:

BrNZnC20H23 (1)

Stoich.:

ABCD20E23 (1)

Weight, g/mol:

279.1987

ΔHf, kcal/mol:

-78.0

Dipole, Da:

13.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 3.694989

Charge, e:

 0

Chem-info

IUPAC name:

1-benzhydryl-2-ethylpiperidine

Drug info:

PubChemData

Smile

CCC1C[CH+]C[CH-]N1C(C2=CC=CC=C2)C3=CC=CC=C3.[Zn+]Br

DOS

IR

Vibrations