Geometry & MOs

Info

ID:	164925
PubChem CID:	74473727
Reduced:	N3O5H13C14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	398.147786
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	11.21
IP(EA), eV:	-9.45(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[1-[3-(dimethylazaniumyl)propyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC2=NC(=O)C(C(=O)N2)[N+](=O)[O-]

DOS

IR

Vibrations