Geometry & MOs

Info

ID:	314086
PubChem CID:	126620366
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	361.116152
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	2.95
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(furan-2-yl)-5-(4-methoxyphenyl)-2-nitro-5-oxopentanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C2=CC(=CC=C2)NC(=O)C

DOS

IR

Vibrations