Geometry & MOs

Info

ID:	398881
PubChem CID:	135036017
Reduced:	NOH17C21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	322.156895
ΔH_f, kcal/mol:	53.79
Dipole, Da:	3.38
IP(EA), eV:	-8.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C3=CC=CN3C4=CC=CC=C4

DOS

IR

Vibrations