Geometry & MOs

Info

ID:	36052
PubChem CID:	7980702
Reduced:	N2O6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	334.120509
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	9.19
IP(EA), eV:	-9.29(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations