Geometry & MOs

Info

ID:	194498
PubChem CID:	78546522
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	415.214744
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	5.32
IP(EA), eV:	-9.26(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-benzylbenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=CC=C2CC3=CC=CC=C3

DOS

IR

Vibrations