Geometry & MOs

Info

ID:	402005
PubChem CID:	135053804
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-22.91
Dipole, Da:	2.42
IP(EA), eV:	-9.41(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-2-(4-methoxyphenyl)-5-oxopentanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2C(O2)CCC3=CC=CC=C3

DOS

IR

Vibrations