Geometry & MOs

Info

ID:	390851
PubChem CID:	135001282
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-131.03
Dipole, Da:	3.0
IP(EA), eV:	-8.26(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-ethylidene-5-oxohexanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=CC=CC=C2N(C1C3=CC=CC=C3)C)C(=O)OCC

DOS

IR

Vibrations