Geometry & MOs

Info

ID:	208512
PubChem CID:	80539292
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	4.69
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclopropylacetyl)amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC2=C(C=C1)C=NN2)C(=O)O

DOS

IR

Vibrations