Geometry & MOs

Info

ID:	220325
PubChem CID:	85177298
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-97.12
Dipole, Da:	5.6
IP(EA), eV:	-9.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(3-nitro-2-phenylpropyl)furan

Drug info:

PubChemData

Smile

C1C2CN(CC1C(=O)OC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations