Geometry & MOs

Info

ID:	392293
PubChem CID:	135014235
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	449.199094
ΔH_f, kcal/mol:	-102.75
Dipole, Da:	5.72
IP(EA), eV:	-9.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[1-(1-ethoxyethoxy)naphthalen-2-yl]-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](N1C(=O)C2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations