Geometry & MOs

Info

ID:

214905

PubChem CID:

85083824

Reduced:

P3N5O12C21H30 (1)

Stoich.:

A3B5C12D21E30 (1)

Weight, g/mol:

637.12119

ΔHf, kcal/mol:

-617.65

Dipole, Da:

9.66

IP(EA), eV:

 -9.22(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

[4-[4-[C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone;bromide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC2=NC(=O)C3C(=N2)N(C=N3)C4CC(C(O4)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations