Geometry & MOs

Info

ID:	48458
PubChem CID:	10584980
Reduced:	ClNOF2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	219.066221
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	5.03
IP(EA), eV:	-9.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-chloropropanoyl]-2-methylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=CC(F)(F)Cl

DOS

IR

Vibrations