Geometry & MOs

Info

ID:	23826
PubChem CID:	606494
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	2.1
IP(EA), eV:	-9.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(heptylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCCNC=C1C(=O)CC(CC1=O)(C)C

DOS

IR

Vibrations