Geometry & MOs

Info

ID:	213585
PubChem CID:	81064289
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	3.6
IP(EA), eV:	-9.71(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CN=C(C=C1)N2C=CN=C2

DOS

IR

Vibrations