Geometry & MOs

Info

ID:	257143
PubChem CID:	103144038
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	284.162374
ΔH_f, kcal/mol:	38.32
Dipole, Da:	5.6
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-3-methoxy-2-[(5-methyloxolan-2-yl)methyl]-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=CN2C3=CC=CC4=C3CNCC4

DOS

IR

Vibrations