Geometry & MOs

Info

ID:	33260
PubChem CID:	7885695
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-219.06
Dipole, Da:	8.63
IP(EA), eV:	-9.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxocyclohexyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations