Geometry & MOs

Info

ID:	337661
PubChem CID:	127258284
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	3.51
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2,4,6-trimethylcyclohex-3-en-1-yl)methylidene]butanal

Drug info:

PubChemData

Smile

CC/C(=C/N1CCOCC1)/C=O

DOS

IR

Vibrations