Geometry & MOs

Info

ID:	31032
PubChem CID:	854204
Reduced:	O2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	174.100442
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	7.1
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-(carbamoylamino)-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCNC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

DOS

IR

Vibrations