Geometry & MOs

Info

ID:	240946
PubChem CID:	93618347
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	230.126657
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	5.4
IP(EA), eV:	-9.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(2S)-1-methoxypropan-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OCCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations