Geometry & MOs

Info

ID:	238822
PubChem CID:	93165562
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	310.225643
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	2.95
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-[cyclohexyl(methyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1[C@@H](CN)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations