Geometry & MOs

Info

ID:	221335
PubChem CID:	85267715
Reduced:	PN2O3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	405.251523
ΔH_f, kcal/mol:	-154.24
Dipole, Da:	6.87
IP(EA), eV:	-8.97(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(benzylamino)-1-oxododecan-4-yl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN1C2CCCCC2N(P1(=O)C=CC(C3CCOC(=O)C3)C4=CC=CC=C4)C

DOS

IR

Vibrations