Geometry & MOs

Info

ID:	297015
PubChem CID:	117605827
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	224.068473
ΔH_f, kcal/mol:	-145.26
Dipole, Da:	1.93
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-carboxy-3-(oxiran-2-yl)prop-1-enyl]cyclobutene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=CC(=C1)C2=CNC(=C2)C(=O)OC

DOS

IR

Vibrations