Geometry & MOs

Info

ID:	245850
PubChem CID:	103024411
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	38.95
Dipole, Da:	1.86
IP(EA), eV:	-9.64(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-methoxy-7-methyloctan-4-one

Drug info:

PubChemData

Smile

CC(C)C1=C(SN=N1)C(=O)CCC2=CC=NN2C

DOS

IR

Vibrations