Geometry & MOs

Info

ID:	310048
PubChem CID:	126573203
Reduced:	ClOSN3F8H18C23 (1)
Stoich.:	ABCD3E8F18G23 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	-373.87
Dipole, Da:	5.44
IP(EA), eV:	-8.92(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(diethylaminomethyl)pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)NCC1=C(C=CC(=C1)C2=CN(N=C2)C3=C(C=C(C=C3Cl)C(C(F)(F)F)(C(F)(F)F)F)SC)F

DOS

IR

Vibrations