Geometry & MOs

Info

ID:	269423
PubChem CID:	103617416
Reduced:	ClINO3C13H17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	377.9632
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	3.52
IP(EA), eV:	-9.67(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-iodobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCOCCCNC(=O)C1=C(C=CC(=C1)Cl)I

DOS

IR

Vibrations