Geometry & MOs

Info

ID:	342394
PubChem CID:	127265217
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-114.05
Dipole, Da:	3.19
IP(EA), eV:	-9.18(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxy-2-nitrophenyl)pyrrolidine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1[N+](=O)[O-])N2CCCC(C2)OCCO

DOS

IR

Vibrations