Geometry & MOs

Info

ID:	149245
PubChem CID:	53788917
Reduced:	OSN4C28H49 (1)
Stoich.:	ABC4D28E49 (1)
Weight, g/mol:	143.094629
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	4.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765317
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1,4-dimethylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCCC1=C([N+](=CS1)CC2=CN=C(N=C2N)C)C

DOS

IR

Vibrations