Geometry & MOs

Info

ID:

167262

PubChem CID:

74799171

Reduced:

O2N6C23H31 (1)

Stoich.:

A2B6C23D31 (1)

Weight, g/mol:

344.141732

ΔHf, kcal/mol:

50.24

Dipole, Da:

5.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753512

Charge, e:

 1

Chem-info

IUPAC name:

(4-chlorophenyl)-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Drug info:

PubChemData

Smile

CC[NH+](CC)C1CCN(C1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC=CO4)C(C)C

DOS

IR

Vibrations