Geometry & MOs

Info

ID:	200215
PubChem CID:	79363998
Reduced:	ClFNO3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-167.91
Dipole, Da:	5.66
IP(EA), eV:	-10.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-carbamoylbenzoyl)-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)C2=C(C=C(C=C2)Cl)F)C(=O)O

DOS

IR

Vibrations