Geometry & MOs

Info

ID:	26764
PubChem CID:	798247
Reduced:	ON4H8C12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	105.96
Dipole, Da:	2.32
IP(EA), eV:	-9.97(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2S)-4-phenylbutan-2-yl]carbamoyl]phenyl] acetate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NOC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations