Geometry & MOs

Info

ID:

233656

PubChem CID:

91148151

Reduced:

N5H23C25 (1)

Stoich.:

A5B23C25 (1)

Weight, g/mol:

875.526499

ΔHf, kcal/mol:

172.21

Dipole, Da:

1.23

IP(EA), eV:

 -8.8(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyanomethyl)-N-methylacetamide;N-(3-dodecoxypropyl)-N-methylacetamide;methyl acetate;methyl 2-[acetyl(methyl)amino]acetate;S-methyl ethanethioate;N-methyl-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC.CC1=CC(=CC=C1)N=NC2=CC=C(C=C2)N3N=C4C=CC5=CC=CC=C5C4=N3

DOS

IR

Vibrations