Geometry & MOs

Info

ID:	206057
PubChem CID:	80194790
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-207.18
Dipole, Da:	7.92
IP(EA), eV:	-9.72(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(2-methyloxolan-2-yl)methylcarbamoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)N2CC(CC2C(=O)O)O)CC

DOS

IR

Vibrations