Geometry & MOs

Info

ID:	270317
PubChem CID:	103636029
Reduced:	BrION2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	435.92834
ΔH_f, kcal/mol:	-15.12
Dipole, Da:	2.55
IP(EA), eV:	-8.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-iodobenzoyl)-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)CCNC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations