Geometry & MOs

Info

ID:	63679
PubChem CID:	26758947
Reduced:	NO5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	6.41
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations