Geometry & MOs

Info

ID:	413280
PubChem CID:	135086227
Reduced:	OH12C13 (1)
Stoich.:	AB12C13 (1)
Weight, g/mol:	282.267114
ΔH_f, kcal/mol:	43.15
Dipole, Da:	3.03
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,2-dimethyl-12-(propylamino)dodecanenitrile

Drug info:

PubChemData

Smile

CC(=O)/C=C/CC1=CC=CC=C1C#C

DOS

IR

Vibrations