Geometry & MOs

Info

ID:	160068
PubChem CID:	57304594
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	3.72
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

C1COC(C(N1)C(=O)CCC=O)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations