Geometry & MOs

Info

ID:	407189
PubChem CID:	135079514
Reduced:	PO9C18H31 (1)
Stoich.:	AB9C18D31 (1)
Weight, g/mol:	206.057909
ΔH_f, kcal/mol:	-467.49
Dipole, Da:	1.48
IP(EA), eV:	-9.99(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-acetyl-3-formylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC=O)(C/C=C/COP(=O)(OCC)OCC)C(=O)OCC

DOS

IR

Vibrations