Geometry & MOs

Info

ID:

225568

PubChem CID:

85856170

Reduced:

ON2C16H27 (1)

Stoich.:

AB2C16D27 (1)

Weight, g/mol:

287.257277

ΔHf, kcal/mol:

-8.1

Dipole, Da:

4.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771086

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;2-dodecan-2-ylguanidine

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CC=CC(=CC(=C[N+]#N)O)C

DOS

IR

Vibrations