Geometry & MOs

Info

ID:	248505
PubChem CID:	103082202
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	231.121906
ΔH_f, kcal/mol:	-197.78
Dipole, Da:	7.84
IP(EA), eV:	-9.66(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-amino-2-[[methyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)O)NC(=O)N1CCC(CC1)OC

DOS

IR

Vibrations