Geometry & MOs

Info

ID:	215840
PubChem CID:	85085329
Reduced:	OSN4C5H10 (1)
Stoich.:	ABC4D5E10 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	52.8
Dipole, Da:	6.31
IP(EA), eV:	-8.67(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-4-oxohept-5-enoate

Drug info:

PubChemData

Smile

CSC1NC(=CN=O)CNN1

DOS

IR

Vibrations