Geometry & MOs

Info

ID:

174774

PubChem CID:

75813120

Reduced:

N2O3C21H35 (1)

Stoich.:

A2B3C21D35 (1)

Weight, g/mol:

362.256943

ΔHf, kcal/mol:

-111.91

Dipole, Da:

5.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753590

Charge, e:

 0

Chem-info

IUPAC name:

3,4-diethoxy-N-[4-(3-methylpiperidin-1-yl)butyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NCCCC[NH+]2CCCC(C2)C)OCC

DOS

IR

Vibrations