Geometry & MOs

Info

ID:	231146
PubChem CID:	87572764
Reduced:	ClN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	7.64
IP(EA), eV:	-9.68(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-3-[(1-oxido-3-oxo-1,2-dihydropyrrol-1-ium-2-yl)methyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=NC(=C1N(C(=O)O)C(=O)O)Cl)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations