Geometry & MOs

Info

ID:	138004
PubChem CID:	52298709
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	331.238553
ΔH_f, kcal/mol:	54.6
Dipole, Da:	8.86
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCCN2CN3C=NC(=N3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations