Geometry & MOs

Info

ID:	387585
PubChem CID:	134985986
Reduced:	SC10H20 (1)
Stoich.:	AB10C20 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-23.18
Dipole, Da:	2.57
IP(EA), eV:	-8.41(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-N-(3-oxobutyl)methanimine oxide

Drug info:

PubChemData

Smile

CC(C)(C)C(=CS)C(C)(C)C

DOS

IR

Vibrations