Geometry & MOs

Info

ID:	283765
PubChem CID:	104004726
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	1.74
IP(EA), eV:	-8.42(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylsulfanylbutan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CCNC2CCC2

DOS

IR

Vibrations