Geometry & MOs

Info

ID:	298956
PubChem CID:	117664449
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-153.2
Dipole, Da:	4.52
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[benzoyl(phenylmethoxy)amino]methyl]-3-cyclopentylpropanoate

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC)/C=C/C2=NC=CC(=C2)OC)OC

DOS

IR

Vibrations