Geometry & MOs

Info

ID:

193700

PubChem CID:

78426235

Reduced:

Cl2N2O9C43H50 (1)

Stoich.:

A2B2C9D43E50 (1)

Weight, g/mol:

360.213696

ΔHf, kcal/mol:

35.94

Dipole, Da:

58.33

IP(EA), eV:

 -5.99(-5.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-[[4-(diethylamino)butylamino]methyl]pyridin-4-yl]methyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C2CCN(C3C2=C1OC4=C(C=C5CC[N+](C(C5=C4)CC6=CC=C(C=C6)OC7=C(C=CC(=C7)C3)OC)(C)CCCC(=O)[O-])OC)C)OC.Cl.Cl

DOS

IR

Vibrations