Geometry & MOs

Info

ID:	148703
PubChem CID:	53788372
Reduced:	ClN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	66.45
Dipole, Da:	3.32
IP(EA), eV:	-9.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(phenylmethoxyamino)-2-propan-2-ylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CN=C(C=CC1=CC=CC=C1Cl)NC#N

DOS

IR

Vibrations