Geometry & MOs

Info

ID:	216299
PubChem CID:	85086014
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	2.65
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC(CON=CC1=CC=NC=C1)O

DOS

IR

Vibrations