Geometry & MOs

Info

ID:	184562
PubChem CID:	77175322
Reduced:	NOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	19.05
Dipole, Da:	1.9
IP(EA), eV:	-8.64(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

C1C(C1N)C2=CC=C(C=C2)C3=CC=CC=C3O

DOS

IR

Vibrations