Geometry & MOs

Info

ID:	205948
PubChem CID:	80181985
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-45.58
Dipole, Da:	4.89
IP(EA), eV:	-9.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-methyloxolane-2-carbonyl)amino]methyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C#N)C(=O)C2(CCCO2)C

DOS

IR

Vibrations