Geometry & MOs

Info

ID:	322269
PubChem CID:	126669573
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	372.136159
ΔH_f, kcal/mol:	-51.03
Dipole, Da:	4.11
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-acetylnaphthalen-1-yl)-3-methyl-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=CC=CC=C2C(=C1)C3=CN(N=C3)CCC(=O)OC

DOS

IR

Vibrations