Geometry & MOs

Info

ID:	383268
PubChem CID:	134974894
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	-4.84
Dipole, Da:	2.11
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,6-dimethoxyphenyl)methylidene]-3-oxohexanoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@@H](C)CCCC2=NC3=CC=CC=C3C(=C2)C

DOS

IR

Vibrations