Geometry & MOs

Info

ID:	378448
PubChem CID:	134224530
Reduced:	O2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	3.27
IP(EA), eV:	-9.91(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(3-amino-5,5-dimethylhexylidene)-6-ethyloxan-2-one

Drug info:

PubChemData

Smile

C/C=C\1/CC(OC1O)C

DOS

IR

Vibrations